6-(4-methylphenyl)-2-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]pyridazin-3-one Openeye Name: 2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]pyridazin-3-one Traditional Name: 2-[4-keto-4-(4-phenylpiperazino)butyl]-6-(p-tolyl)pyridazin-3-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-20-9-11-21(12-10-20)23-13-14-25(31)29(26-23)15-5-8-24(30)28-18-16-27(17-19-28)22-6-3-2-4-7-22/h2-4,6-7,9-14H,5,8,15-19H2,1H3