1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)-N-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxy-3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxy-3-nitro-phenyl)pyrazole-4-carboxamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4/c1-30-19-9-8-16(12-18(19)26(28)29)20-17(14-25(24-20)11-5-10-22)21(27)23-13-15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,11,13H2,1H3,(H,23,27)