1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[1-(3-methoxybenzoyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[1-[(3-methoxyphenyl)-oxomethyl]-4-[(2-methylphenyl)methyl-phenethylamino]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[1-(3-methoxybenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[1-m-anisoyl-4-[(2-methylbenzyl)-phenethyl-amino]pyrrolidin-2-yl]methanone Formula: C34H42N4O3 MolecularWeight: 554.72228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

InChI

InChI=1S/C34H42N4O3/c1-26-10-6-7-13-29(26)24-37(20-16-27-11-4-3-5-12-27)30-23-32(34(40)36-19-9-17-35-18-21-36)38(25-30)33(39)28-14-8-15-31(22-28)41-2/h3-8,10-15,22,30,32,35H,9,16-21,23-25H2,1-2H3