3-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxidanylcyclohexyl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxycyclohexyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxycyclohexyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxycyclohexyl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 1-(4-hydroxycyclohexyl)-2-keto-3-piperonyl-benzimidazole-5-carbonitrile Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CC(CCC1N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H21N3O4/c23-11-14-1-7-18-19(9-14)24(12-15-2-8-20-21(10-15)29-13-28-20)22(27)25(18)16-3-5-17(26)6-4-16/h1-2,7-10,16-17,26H,3-6,12-13H2