N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methyl-3-nitro-benzamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N6O3/c1-14-16(9-5-11-19(14)27(29)30)21(28)24-12-6-10-18-17(13-22)20(23)26(25-18)15-7-3-2-4-8-15/h2-5,7-9,11H,6,10,12,23H2,1H3,(H,24,28)