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

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-methylphenyl)carbonyl-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(isobutyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[(4-methylphenyl)-oxomethyl]-4-[2-methylpropyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(2-methylpropyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(isobutyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4=CC=CC=C4)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4=CC=CC=C4)CC(C)C

InChI

InChI=1S/C29H40N4O2/c1-22(2)19-32(20-24-8-5-4-6-9-24)26-18-27(29(35)31-16-7-14-30-15-17-31)33(21-26)28(34)25-12-10-23(3)11-13-25/h4-6,8-13,22,26-27,30H,7,14-21H2,1-3H3