3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-1-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 3-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-1-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-1-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-[3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-1-[5-(3-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]propan-1-one Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CO)NCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-22(2,15-27)23-12-11-21(28)25-20(17-9-6-10-18(13-17)26(29)30)14-19(24-25)16-7-4-3-5-8-16/h3-10,13,20,23,27H,11-12,14-15H2,1-2H3