methyl 3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: methyl 3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: methyl 3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-benzyl-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCC2=C1NC3=CC=CC=C23)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CN(CCC2=C1NC3=CC=CC=C23)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c1-25-21(24)18-14-23(13-15-7-3-2-4-8-15)12-11-17-16-9-5-6-10-19(16)22-20(17)18/h2-10,18,22H,11-14H2,1H3