4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-isopropyl-3-nitro-benzamide CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-N-isopropyl-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O3/c1-15(2)23-22(27)18-8-9-20(21(14-18)26(28)29)25-12-10-24(11-13-25)19-7-5-6-16(3)17(19)4/h5-9,14-15H,10-13H2,1-4H3,(H,23,27)