629662-47-1
8-[BIS(PHENYLMETHYL)AMINO]-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID ETHYL ESTER
Name8-[BIS(PHENYLMETHYL)AMINO]-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
8-[BIS(PHENYLMETHYL)AMINO]-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11616210
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C31 H33 N3 O2
【pro_molWeight】
479.621
【Inchi】
InChI=1S/C31H33N3O2/c1-4-36-30(35)26-18-32-21-31(2,3)28-25-16-15-24(17-27(25)33-29(26)28)34(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23/h5-18,32-33H,4,19-21H2,1-3H3
【InChIKey】
InChIKey=NIKIVKFAVQLZDE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=CNCC(c2c1[nH]c3c2ccc(c3)N(Cc4ccccc4)Cc5ccccc5)(C)C
【MOL File】
8-[BIS(PHENYLMETHYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-[BIS(PHENYLMETHYL)AMINO]-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-AZEPINO[4,5-B]INDOLE-5-CARBOXYLIC ACID ETHYL ESTER.cml