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

Systemtic Name: N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-[(2-bromophenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-(2-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=C4Br

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)C=CC(=C3)C(=O)NCC4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN3O/c21-16-7-4-3-6-15(16)13-22-20(25)14-9-10-18-17(12-14)23-19-8-2-1-5-11-24(18)19/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,25)