N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(1-piperidylmethyl)benzimidazol-2-yl]-3-nitro-benzamide CAS Name: N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(1-piperidinylmethyl)-2-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide Traditional Name: N-[1-(4-methylolcyclohexyl)-5-(piperidinomethyl)benzimidazol-2-yl]-3-nitro-benzamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5CCC(CC5)CO

Isomeric SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5CCC(CC5)CO

InChI

InChI=1S/C27H33N5O4/c33-18-19-7-10-22(11-8-19)31-25-12-9-20(17-30-13-2-1-3-14-30)15-24(25)28-27(31)29-26(34)21-5-4-6-23(16-21)32(35)36/h4-6,9,12,15-16,19,22,33H,1-3,7-8,10-11,13-14,17-18H2,(H,28,29,34)