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

Systemtic Name: 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-3-nitro-benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H29N5O3/c1-5-25-10-12-26(13-11-25)18-7-8-19(16(2)14-18)23-22(28)17-6-9-20(24(3)4)21(15-17)27(29)30/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,28)