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

Systemtic Name: 4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(2-methyl-2-phenyl-propanoyl)piperazino]-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-21(2,16-6-4-3-5-7-16)20(27)24-12-10-23(11-13-24)17-9-8-15(19(22)26)14-18(17)25(28)29/h3-9,14H,10-13H2,1-2H3,(H2,22,26)