1-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methylamino]ethanone

Systemtic Name: 1-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methylamino]ethanone Openeye Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methylamino]ethanone CAS Name: 1-[4-[(3,5-dimethylphenyl)-oxomethyl]-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methylamino]ethanone IUPAC Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methylamino]ethanone Traditional Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-(o-anisylamino)ethanone Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CNCC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CNCC4=CC=CC=C4OC)C

InChI

InChI=1S/C30H35N3O3/c1-22-17-23(2)19-26(18-22)30(35)33-16-15-32(14-13-27(33)24-9-5-4-6-10-24)29(34)21-31-20-25-11-7-8-12-28(25)36-3/h4-12,17-19,27,31H,13-16,20-21H2,1-3H3