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

Systemtic Name: (4R)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4R)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-4-[1-[3-(1-imidazolyl)propylimino]ethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4R)-4-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-4-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=NCCCN2C=CN=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1C(=NCCCN2C=CN=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-13(20-8-3-10-22-11-9-19-12-22)17-14(2)21-23(18(17)25)15-4-6-16(7-5-15)24(26)27/h4-7,9,11-12,17H,3,8,10H2,1-2H3/t17-/m1/s1