6-chloranyl-N-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[1-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[[5-(isovalerylamino)-1-methyl-benzimidazol-2-yl]methyl]nicotinamide Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CNC(=O)C3=CN=C(C=C3)Cl)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CNC(=O)C3=CN=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClN5O2/c1-12(2)8-19(27)24-14-5-6-16-15(9-14)25-18(26(16)3)11-23-20(28)13-4-7-17(21)22-10-13/h4-7,9-10,12H,8,11H2,1-3H3,(H,23,28)(H,24,27)