5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-piperidin-1-yl-pyridazin-3-one Openeye Name: 5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-(1-piperidyl)pyridazin-3-one CAS Name: 5-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-2-methyl-6-phenyl-4-(1-piperidinyl)-3-pyridazinone IUPAC Name: 5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-piperidin-1-ylpyridazin-3-one Traditional Name: 5-[(E)-3-(4-methoxyphenyl)acryloyl]-2-methyl-6-phenyl-4-piperidino-pyridazin-3-one Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCCCC4

Isomeric SMILES

CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OC)N4CCCCC4

InChI

InChI=1S/C26H27N3O3/c1-28-26(31)25(29-17-7-4-8-18-29)23(24(27-28)20-9-5-3-6-10-20)22(30)16-13-19-11-14-21(32-2)15-12-19/h3,5-6,9-16H,4,7-8,17-18H2,1-2H3/b16-13+