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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

InChI

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