5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[[2-(1-piperazinyl)ethylamino]methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[(2-piperazin-1-ylethylamino)methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[(2-piperazinoethylamino)methylene]-2-pyrazolin-3-one Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCCN2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCCN2CCNCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-13-16(12-19-8-11-21-9-6-18-7-10-21)17(24)22(20-13)14-2-4-15(5-3-14)23(25)26/h2-5,12,18-19H,6-11H2,1H3