4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-benzamide

Systemtic Name: 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-benzamide Openeye Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-benzamide CAS Name: 4-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-3-nitrobenzamide IUPAC Name: 4-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-3-nitrobenzamide Traditional Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-benzamide Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C20H19N7O3/c21-12-15-16(25-26(19(15)22)14-5-2-1-3-6-14)7-4-10-24-17-9-8-13(20(23)28)11-18(17)27(29)30/h1-3,5-6,8-9,11,24H,4,7,10,22H2,(H2,23,28)