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

Systemtic Name: 1-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]ethanone; (2-methoxyphenyl)methanamine Openeye Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]ethanone; (2-methoxyphenyl)methanamine CAS Name: 1-[4-[(3,5-dimethylphenyl)-oxomethyl]-5-phenyl-1,4-diazepan-1-yl]ethanone; (2-methoxyphenyl)methanamine IUPAC Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]ethanone; (2-methoxyphenyl)methanamine Traditional Name: 1-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]ethanone; o-anisylamine Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)C)C.COC1=CC=CC=C1CN

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)C)C.COC1=CC=CC=C1CN

InChI

InChI=1S/C22H26N2O2.C8H11NO/c1-16-13-17(2)15-20(14-16)22(26)24-12-11-23(18(3)25)10-9-21(24)19-7-5-4-6-8-19;1-10-8-5-3-2-4-7(8)6-9/h4-8,13-15,21H,9-12H2,1-3H3;2-5H,6,9H2,1H3