4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-phenyl-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-phenyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-phenyl-butanamide CAS Name: 4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-phenyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-phenylbutanamide Traditional Name: N-benzyl-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-phenyl-butyramide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O3/c1-16-20(22)21(26(28)29)23-25(16)14-8-13-19(27)24(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-15H2,1H3