4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-nitrophenyl)methyl]phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-nitrophenyl)methyl]phthalazin-1-one Openeye Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-nitrophenyl)methyl]phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-nitrophenyl)methyl]-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-nitrophenyl)methyl]phthalazin-1-one Traditional Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(4-nitrobenzyl)phthalazin-1-one Formula: C19H16N6O3 MolecularWeight: 376.36874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3/c1-12-10-17(22-21-12)20-18-15-4-2-3-5-16(15)19(26)24(23-18)11-13-6-8-14(9-7-13)25(27)28/h2-10H,11H2,1H3,(H2,20,21,22,23)