4-(dimethylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[2-methyl-4-(4-methylpiperazino)phenyl]-3-nitro-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-15-13-17(25-11-9-24(4)10-12-25)6-7-18(15)22-21(27)16-5-8-19(23(2)3)20(14-16)26(28)29/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)