(E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxy-3-pyridazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazino]prop-2-en-1-one Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N4O4/c1-31-21-10-8-19(18-22(21)32-2)9-13-25(30)29-16-14-28(15-17-29)23-11-12-24(27-26-23)33-20-6-4-3-5-7-20/h3-13,18H,14-17H2,1-2H3/b13-9+