(phenylmethyl) 2-[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(1-methylindol-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(1-methyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)N3CCCN(CC3)CC(=O)OCC4=CC=CC=C4

InChI

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