3-methyl-N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-1-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-methyl-N-[(2S)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-nitrophenyl)piperazino]ethyl]-3-methyl-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15-4-3-5-17(14-15)20(26)22-16(2)21(27)24-12-10-23(11-13-24)18-6-8-19(9-7-18)25(28)29/h3-9,14,16H,10-13H2,1-2H3,(H,22,26)/t16-/m0/s1