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

Systemtic Name: 1-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methyl-methyl-amino]ethanone Openeye Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methyl-methyl-amino]ethanone CAS Name: 1-[4-[(3,5-dimethylphenyl)-oxomethyl]-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methyl-methylamino]ethanone IUPAC Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-[(2-methoxyphenyl)methyl-methylamino]ethanone Traditional Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-[methyl(o-anisyl)amino]ethanone Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CN(C)CC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CN(C)CC4=CC=CC=C4OC)C

InChI

InChI=1S/C31H37N3O3/c1-23-18-24(2)20-27(19-23)31(36)34-17-16-33(15-14-28(34)25-10-6-5-7-11-25)30(35)22-32(3)21-26-12-8-9-13-29(26)37-4/h5-13,18-20,28H,14-17,21-22H2,1-4H3