N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-piperonyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3/c25-21(22-12-14-5-8-18-19(10-14)27-13-26-18)15-6-7-17-16(11-15)23-20-4-2-1-3-9-24(17)20/h5-8,10-11H,1-4,9,12-13H2,(H,22,25)