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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H15BrCl2N6O3 MolecularWeight: 502.1494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC(=C(C=C2)Cl)Cl)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC(=C(C=C2)Cl)Cl)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrCl2N6O3/c1-2-15(25-8-11(6-21-25)26(28)29)17(27)22-16-12(18)9-24(23-16)7-10-3-4-13(19)14(20)5-10/h3-6,8-9,15H,2,7H2,1H3,(H,22,23,27)