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

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[1-(4-methylbenzoyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-phenethyl-amino]-1-p-toluoyl-pyrrolidin-2-yl]methanone Formula: C34H42N4O2 MolecularWeight: 538.72288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5C

InChI

InChI=1S/C34H42N4O2/c1-26-13-15-29(16-14-26)33(39)38-25-31(23-32(38)34(40)36-20-8-18-35-19-22-36)37(21-17-28-10-4-3-5-11-28)24-30-12-7-6-9-27(30)2/h3-7,9-16,31-32,35H,8,17-25H2,1-2H3