N-[3-azanyl-1-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[4-(4-methylpiperazino)-3-nitro-phenyl]propyl]-3,5-dimethyl-benzamide Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-15-10-16(2)12-18(11-15)23(30)25-19(14-22(24)29)17-4-5-20(21(13-17)28(31)32)27-8-6-26(3)7-9-27/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,24,29)(H,25,30)