N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H18BrClN6O3 MolecularWeight: 481.73092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC=CC=C2Cl)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Br)CC2=CC=CC=C2Cl)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18BrClN6O3/c1-3-15(25-11(2)8-16(22-25)26(28)29)18(27)21-17-13(19)10-24(23-17)9-12-6-4-5-7-14(12)20/h4-8,10,15H,3,9H2,1-2H3,(H,21,23,27)