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

Systemtic Name: N-[(3-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-(3-bromobenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O/c21-16-6-4-5-14(11-16)13-22-20(25)15-8-9-18-17(12-15)23-19-7-2-1-3-10-24(18)19/h4-6,8-9,11-12H,1-3,7,10,13H2,(H,22,25)