(E)-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepan-1-yl]-4-(4-imidazol-1-ylphenyl)but-3-en-1-one

Systemtic Name: (E)-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepan-1-yl]-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Openeye Name: (E)-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepan-1-yl]-4-(4-imidazol-1-ylphenyl)but-3-en-1-one CAS Name: (E)-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepan-1-yl]-4-[4-(1-imidazolyl)phenyl]-3-buten-1-one IUPAC Name: (E)-1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepan-1-yl]-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Traditional Name: (E)-1-(4-homoveratryl-1,4-diazepan-1-yl)-4-(4-imidazol-1-ylphenyl)but-3-en-1-one Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCCN(CC2)C(=O)CC=CC3=CC=C(C=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCN(CC2)C(=O)C/C=C/C3=CC=C(C=C3)N4C=CN=C4)OC

InChI

InChI=1S/C28H34N4O3/c1-34-26-12-9-24(21-27(26)35-2)13-17-30-15-4-16-31(20-19-30)28(33)6-3-5-23-7-10-25(11-8-23)32-18-14-29-22-32/h3,5,7-12,14,18,21-22H,4,6,13,15-17,19-20H2,1-2H3/b5-3+