4-(dimethylamino)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-nitro-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-15-19(16(2)26(24-15)14-17-8-6-5-7-9-17)13-23-22(28)18-10-11-20(25(3)4)21(12-18)27(29)30/h5-12H,13-14H2,1-4H3,(H,23,28)