6-[5-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(4-benzhydrylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[5-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(4-benzhydrylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(4-benzhydrylpiperazine-1-carbonyl)-3-pyrazolin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C=C(NN2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CC(=O)C(=C2C=C(NN2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C=C1

InChI

InChI=1S/C28H28N4O2/c1-20-12-13-23(26(33)18-20)24-19-25(30-29-24)28(34)32-16-14-31(15-17-32)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,27,29-30H,14-17H2,1H3