(4R)-5-methyl-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-5-methyl-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4R)-5-methyl-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-2-(4-nitrophenyl)-4-[1-[2-(1-piperazinyl)ethylimino]ethyl]-4H-pyrazol-3-one IUPAC Name: (4R)-5-methyl-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-5-methyl-4-[C-methyl-N-(2-piperazinoethyl)carbonimidoyl]-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NCCN2CCNCC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C(=NCCN2CCNCC2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c1-13(20-9-12-22-10-7-19-8-11-22)17-14(2)21-23(18(17)25)15-3-5-16(6-4-15)24(26)27/h3-6,17,19H,7-12H2,1-2H3/t17-/m1/s1