N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide

Systemtic Name: N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Openeye Name: N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide CAS Name: N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide IUPAC Name: N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Traditional Name: N-phenethyl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(N2CC1)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=NC3=C(N2CC1)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21(22-13-12-16-7-3-1-4-8-16)17-10-11-19-18(15-17)23-20-9-5-2-6-14-24(19)20/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2,(H,22,25)