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

Systemtic Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-(phenylmethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[4-[2-methoxyethyl-(phenylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(2-methoxyethyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCOC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CCOC)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O3/c1-22-9-11-24(12-10-22)27(33)32-21-25(19-26(32)28(34)30-15-6-13-29-14-16-30)31(17-18-35-2)20-23-7-4-3-5-8-23/h3-5,7-12,25-26,29H,6,13-21H2,1-2H3