4-(dimethylamino)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[1-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-3-nitro-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O3/c1-14-6-9-18(10-7-14)26-16(3)19(13-23-26)15(2)24-22(28)17-8-11-20(25(4)5)21(12-17)27(29)30/h6-13,15H,1-5H3,(H,24,28)