methyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-30-24(29)21-17-27(22-11-6-5-10-20(21)22)18-23(28)26-13-7-12-25(14-15-26)16-19-8-3-2-4-9-19/h2-6,8-11,17H,7,12-16,18H2,1H3