3-[1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C22H22N6O2/c29-21(17-7-5-16(6-8-17)13-27-15-23-14-24-27)26-11-9-18(10-12-26)28-20-4-2-1-3-19(20)25-22(28)30/h1-8,14-15,18H,9-13H2,(H,25,30)