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

Systemtic Name: 1,4-diazepan-1-yl-[1-(3-methoxyphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[(3-methoxyphenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H40N4O3/c1-40-30-15-8-14-28(22-30)32(38)37-25-29(23-31(37)33(39)35-19-9-17-34-18-21-35)36(24-27-12-6-3-7-13-27)20-16-26-10-4-2-5-11-26/h2-8,10-15,22,29,31,34H,9,16-21,23-25H2,1H3