(4R)-2-(4-nitrophenyl)-5-propyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-2-(4-nitrophenyl)-5-propyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4R)-2-(4-nitrophenyl)-5-propyl-4-(4-pyridylmethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4R)-2-(4-nitrophenyl)-5-propyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4R)-2-(4-nitrophenyl)-5-propyl-4-(pyridin-4-ylmethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4R)-2-(4-nitrophenyl)-5-propyl-4-(4-pyridylmethyliminomethyl)-2-pyrazolin-3-one Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-2-3-18-17(13-21-12-14-8-10-20-11-9-14)19(25)23(22-18)15-4-6-16(7-5-15)24(26)27/h4-11,13,17H,2-3,12H2,1H3/t17-/m1/s1