N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazino)phenyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C

InChI

InChI=1S/C25H33N5O3/c1-3-27-14-16-28(17-15-27)21-6-4-20(5-7-21)26-25(31)23-18-22(30(32)33)8-9-24(23)29-12-10-19(2)11-13-29/h4-9,18-19H,3,10-17H2,1-2H3,(H,26,31)