N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-homoveratryl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N4CCCCCC4=N3)OC

InChI

InChI=1S/C23H27N3O3/c1-28-20-10-7-16(14-21(20)29-2)11-12-24-23(27)17-8-9-19-18(15-17)25-22-6-4-3-5-13-26(19)22/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,24,27)