4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-isopropyl-3-nitro-benzamide Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O3/c1-10(2)21-17(25)11-5-6-14(15(8-11)24(26)27)20-7-3-4-13-12(9-18)16(19)23-22-13/h5-6,8,10,20H,3-4,7H2,1-2H3,(H,21,25)(H3,19,22,23)