2-[(2,4-dimethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-[(2,4-dimethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone CAS Name: 2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone Formula: C28H30N2O3 MolecularWeight: 442.5494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NCCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NCCCCC4)OC

InChI

InChI=1S/C28H30N2O3/c1-32-24-16-17-25(27(19-24)33-2)30(28-11-7-4-8-18-29-28)20-26(31)23-14-12-22(13-15-23)21-9-5-3-6-10-21/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20H2,1-2H3