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

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H19ClN6O3 MolecularWeight: 402.83486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NN(C=C1Cl)CC2=CC=CC=C2)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19ClN6O3/c1-3-15(24-12(2)9-16(21-24)25(27)28)18(26)20-17-14(19)11-23(22-17)10-13-7-5-4-6-8-13/h4-9,11,15H,3,10H2,1-2H3,(H,20,22,26)