cyclopropyl-[2-(1,4-diazepan-1-ylcarbonyl)-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-1-yl]methanone

Systemtic Name: cyclopropyl-[2-(1,4-diazepan-1-ylcarbonyl)-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-1-yl]methanone Openeye Name: [4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[phenethyl-(phenylmethyl)amino]-1-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone Traditional Name: [4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]-cyclopropyl-methanone Formula: C29H38N4O2 MolecularWeight: 474.63762

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3CC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H38N4O2/c34-28(25-12-13-25)33-22-26(20-27(33)29(35)31-17-7-15-30-16-19-31)32(21-24-10-5-2-6-11-24)18-14-23-8-3-1-4-9-23/h1-6,8-11,25-27,30H,7,12-22H2