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

Systemtic Name: N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[4-(2-hydroxyethyl)phenyl]-5-(1-piperidylmethyl)benzimidazol-2-yl]-3-nitro-benzamide CAS Name: N-[1-[4-(2-hydroxyethyl)phenyl]-5-(1-piperidinylmethyl)-2-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidinomethyl)benzimidazol-2-yl]-3-nitro-benzamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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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-])C5=CC=C(C=C5)CCO

Isomeric SMILES

C1CCN(CC1)CC2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)CCO

InChI

InChI=1S/C28H29N5O4/c34-16-13-20-7-10-23(11-8-20)32-26-12-9-21(19-31-14-2-1-3-15-31)17-25(26)29-28(32)30-27(35)22-5-4-6-24(18-22)33(36)37/h4-12,17-18,34H,1-3,13-16,19H2,(H,29,30,35)