N-[2-(butan-2-ylcarbamoyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide CAS Name: N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[2-(butan-2-ylcarbamoyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-[2-(sec-butylcarbamoyl)phenyl]benzamide Formula: C23H29N5O4 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-4-16(2)24-23(30)18-7-5-6-8-19(18)25-22(29)17-9-10-20(21(15-17)28(31)32)27-13-11-26(3)12-14-27/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,30)(H,25,29)