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

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-N-cyclopropyl-3-nitro-benzamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-cyclopropyl-3-nitro-benzamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-cyclopropyl-3-nitrobenzamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-cyclopropyl-3-nitrobenzamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-cyclopropyl-3-nitro-benzamide Formula: C17H19N7O3 MolecularWeight: 369.37786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)NCCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3/c18-9-12-13(22-23-16(12)19)2-1-7-20-14-6-3-10(8-15(14)24(26)27)17(25)21-11-4-5-11/h3,6,8,11,20H,1-2,4-5,7H2,(H,21,25)(H3,19,22,23)