N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(2-chlorobenzyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2Cl)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC=C2Cl)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O3/c1-2-16(23-11-14(8-20-23)24(26)27)17(25)21-13-7-19-22(10-13)9-12-5-3-4-6-15(12)18/h3-8,10-11,16H,2,9H2,1H3,(H,21,25)