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

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-3-methyl-4-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O4/c1-14(2)22(29)26-11-9-25(10-12-26)20-17(23)5-4-6-18(20)24-21(28)16-7-8-19(27(30)31)15(3)13-16/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)