1-(6-bromanyl-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-bromanyl-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(6-bromo-1H-benzimidazol-2-yl)-N-(4-ethylbenzyl)nipecotamide Formula: C22H25BrN4O MolecularWeight: 441.3641

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O/c1-2-15-5-7-16(8-6-15)13-24-21(28)17-4-3-11-27(14-17)22-25-19-10-9-18(23)12-20(19)26-22/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,24,28)(H,25,26)