1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(isobutyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[(3-methoxyphenyl)-oxomethyl]-4-[2-methylpropyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(2-methylpropyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(isobutyl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)N4CCCNCC4

InChI

InChI=1S/C29H40N4O3/c1-22(2)19-32(20-23-9-5-4-6-10-23)25-18-27(29(35)31-15-8-13-30-14-16-31)33(21-25)28(34)24-11-7-12-26(17-24)36-3/h4-7,9-12,17,22,25,27,30H,8,13-16,18-21H2,1-3H3