N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[2-(4-nitrophenyl)-5-pyridin-3-yl-pyrazol-3-yl]pentanamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[2-(4-nitrophenyl)-5-pyridin-3-yl-pyrazol-3-yl]pentanamide Openeye Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-5-[2-(4-nitrophenyl)-5-(3-pyridyl)pyrazol-3-yl]pentanamide CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-[2-(4-nitrophenyl)-5-(3-pyridinyl)-3-pyrazolyl]pentanamide IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-[2-(4-nitrophenyl)-5-pyridin-3-ylpyrazol-3-yl]pentanamide Traditional Name: N-(2-amino-1-benzyl-2-keto-ethyl)-5-[2-(4-nitrophenyl)-5-(3-pyridyl)pyrazol-3-yl]valeramide Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CCCCC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CCCCC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C28H28N6O4/c29-28(36)26(17-20-7-2-1-3-8-20)31-27(35)11-5-4-10-24-18-25(21-9-6-16-30-19-21)32-33(24)22-12-14-23(15-13-22)34(37)38/h1-3,6-9,12-16,18-19,26H,4-5,10-11,17H2,(H2,29,36)(H,31,35)