N-[1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[1-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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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=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-15(2)21(25-22(29)17-6-4-5-16(3)13-17)23(30)27-11-9-26(10-12-27)19-8-7-18(24)14-20(19)28(31)32/h4-8,13-15,21H,9-12H2,1-3H3,(H,25,29)