(4E)-2,5-diphenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-2,5-diphenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-2,5-diphenyl-4-(1-piperidylmethylene)pyrazol-3-one CAS Name: (4E)-2,5-diphenyl-4-(1-piperidinylmethylidene)-3-pyrazolone IUPAC Name: (4E)-2,5-diphenyl-4-(piperidin-1-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-2,5-diphenyl-4-(piperidinomethylene)-2-pyrazolin-3-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21-19(16-23-14-8-3-9-15-23)20(17-10-4-1-5-11-17)22-24(21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2/b19-16+