4-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(2-methyl-2-phenyl-propanoyl)piperazino]methyl]-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-22(2,18-6-4-3-5-7-18)21(28)25-12-10-24(11-13-25)15-17-9-8-16(20(23)27)14-19(17)26(29)30/h3-9,14H,10-13,15H2,1-2H3,(H2,23,27)