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

Systemtic Name: N-[3-azanyl-1-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-3-keto-1-[4-(4-methylpiperazino)-3-nitro-phenyl]propyl]benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-24-9-11-25(12-10-24)18-8-7-16(13-19(18)26(29)30)17(14-20(22)27)23-21(28)15-5-3-2-4-6-15/h2-8,13,17H,9-12,14H2,1H3,(H2,22,27)(H,23,28)