4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxy-benzenecarbonitrile Openeye Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxy-benzonitrile CAS Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxybenzonitrile IUPAC Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxybenzonitrile Traditional Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-4-ylmethoxy)-3-methoxy-benzonitrile Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC2CCCC3C2N=CN3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC2CCCC3C2N=CN3

InChI

InChI=1S/C16H19N3O2/c1-20-15-7-11(8-17)5-6-14(15)21-9-12-3-2-4-13-16(12)19-10-18-13/h5-7,10,12-13,16H,2-4,9H2,1H3,(H,18,19)