1-(3-methylphenyl)carbonyl-4-[(2S)-1-phenyl-3-phenylmethoxy-propan-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-(3-methylphenyl)carbonyl-4-[(2S)-1-phenyl-3-phenylmethoxy-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-benzyloxy-ethyl]-1-(3-methylbenzoyl)-1,4-diazepan-5-one CAS Name: 1-[(3-methylphenyl)-oxomethyl]-4-[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-(3-methylbenzoyl)-4-[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(benzoxymethyl)-2-phenyl-ethyl]-1-m-toluoyl-1,4-diazepan-5-one Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)C(CC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCC(=O)N(CC2)[C@@H](CC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3/c1-23-9-8-14-26(19-23)29(33)30-16-15-28(32)31(18-17-30)27(20-24-10-4-2-5-11-24)22-34-21-25-12-6-3-7-13-25/h2-14,19,27H,15-18,20-22H2,1H3/t27-/m0/s1