7-acetamido-N-(3-methylbutyl)-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide

Systemtic Name: 7-acetamido-N-(3-methylbutyl)-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Openeye Name: 7-acetamido-N-isopentyl-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide CAS Name: 7-acetamido-N-(3-methylbutyl)-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 7-acetamido-N-(3-methylbutyl)-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide Traditional Name: 7-acetamido-N-isoamyl-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C(=C1)NC(=O)C)N(C=N2)CCC3=CC=CC=N3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C(=C1)NC(=O)C)N(C=N2)CCC3=CC=CC=N3

InChI

InChI=1S/C22H27N5O2/c1-15(2)7-10-24-22(29)17-12-19-21(20(13-17)26-16(3)28)27(14-25-19)11-8-18-6-4-5-9-23-18/h4-6,9,12-15H,7-8,10-11H2,1-3H3,(H,24,29)(H,26,28)