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

Systemtic Name: 6-chloranyl-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[2-[1-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[2-[5-(isovalerylamino)-1-methyl-benzimidazol-2-yl]ethyl]nicotinamide Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2/c1-13(2)10-20(28)25-15-5-6-17-16(11-15)26-19(27(17)3)8-9-23-21(29)14-4-7-18(22)24-12-14/h4-7,11-13H,8-10H2,1-3H3,(H,23,29)(H,25,28)