N-[1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[1-ethyl-2-[(4-methyl-1-piperidyl)methyl]benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[1-ethyl-2-[(4-methyl-1-piperidinyl)methyl]-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-ethyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[1-ethyl-2-[(4-methylpiperidino)methyl]benzimidazol-5-yl]-3-nitro-benzamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CN4CCC(CC4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=C1CN4CCC(CC4)C

InChI

InChI=1S/C23H27N5O3/c1-3-27-21-8-7-18(24-23(29)17-5-4-6-19(13-17)28(30)31)14-20(21)25-22(27)15-26-11-9-16(2)10-12-26/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,29)