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

Systemtic Name: 3-methyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H28N4O4/c1-16(2)21(24-22(28)18-6-4-5-17(3)15-18)23(29)26-13-11-25(12-14-26)19-7-9-20(10-8-19)27(30)31/h4-10,15-16,21H,11-14H2,1-3H3,(H,24,28)/t21-/m0/s1