2-[3,5-bis(chloranyl)phenyl]-4-(1-methylpiperidin-4-ylidene)-5-phenyl-pyrazol-3-one

Systemtic Name: 2-[3,5-bis(chloranyl)phenyl]-4-(1-methylpiperidin-4-ylidene)-5-phenyl-pyrazol-3-one Openeye Name: 2-(3,5-dichlorophenyl)-4-(1-methyl-4-piperidylidene)-5-phenyl-pyrazol-3-one CAS Name: 2-(3,5-dichlorophenyl)-4-(1-methyl-4-piperidinylidene)-5-phenyl-3-pyrazolone IUPAC Name: 2-(3,5-dichlorophenyl)-4-(1-methylpiperidin-4-ylidene)-5-phenylpyrazol-3-one Traditional Name: 2-(3,5-dichlorophenyl)-4-(1-methyl-4-piperidylidene)-5-phenyl-2-pyrazolin-3-one Formula: C21H19Cl2N3O MolecularWeight: 400.30106

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C(=NN(C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)CC1

Isomeric SMILES

CN1CCC(=C2C(=NN(C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)CC1

InChI

InChI=1S/C21H19Cl2N3O/c1-25-9-7-14(8-10-25)19-20(15-5-3-2-4-6-15)24-26(21(19)27)18-12-16(22)11-17(23)13-18/h2-6,11-13H,7-10H2,1H3