1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-benzyl-1-(2-cyanoethyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C20H17N5O3/c21-11-4-12-24-14-18(20(26)22-13-15-5-2-1-3-6-15)19(23-24)16-7-9-17(10-8-16)25(27)28/h1-3,5-10,14H,4,12-13H2,(H,22,26)