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

Systemtic Name: 2-methyl-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]-4-piperidin-1-yl-pyridazin-3-one Openeye Name: 2-methyl-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]-4-(1-piperidyl)pyridazin-3-one CAS Name: 2-methyl-5-[(E)-1-oxo-3-phenylprop-2-enyl]-6-phenyl-4-(1-piperidinyl)-3-pyridazinone IUPAC Name: 2-methyl-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]-4-piperidin-1-ylpyridazin-3-one Traditional Name: 2-methyl-6-phenyl-5-[(E)-3-phenylacryloyl]-4-piperidino-pyridazin-3-one Formula: C25H25N3O2 MolecularWeight: 399.4849

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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=CC=C3)N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-27-25(30)24(28-17-9-4-10-18-28)22(23(26-27)20-13-7-3-8-14-20)21(29)16-15-19-11-5-2-6-12-19/h2-3,5-8,11-16H,4,9-10,17-18H2,1H3/b16-15+