N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H16Cl2N6O3 MolecularWeight: 423.25334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)Cl)Cl)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)Cl)Cl)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H16Cl2N6O3/c1-2-16(24-10-13(7-21-24)25(27)28)17(26)22-12-6-20-23(9-12)8-11-3-4-14(18)15(19)5-11/h3-7,9-10,16H,2,8H2,1H3,(H,22,26)