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

Systemtic Name: 1,4-diazepan-1-yl-[1-(4-methylphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(phenethyl)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-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C33H40N4O2 MolecularWeight: 524.6963

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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=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H40N4O2/c1-26-13-15-29(16-14-26)32(38)37-25-30(23-31(37)33(39)35-20-8-18-34-19-22-35)36(24-28-11-6-3-7-12-28)21-17-27-9-4-2-5-10-27/h2-7,9-16,30-31,34H,8,17-25H2,1H3