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

Systemtic Name: 6-chloranyl-N-[3-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]propyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[3-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]propyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-[1-methyl-5-[(3-methyl-1-oxobutyl)amino]-2-benzimidazolyl]propyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[3-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]propyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[3-[5-(isovalerylamino)-1-methyl-benzimidazol-2-yl]propyl]nicotinamide Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O2/c1-14(2)11-21(29)26-16-7-8-18-17(12-16)27-20(28(18)3)5-4-10-24-22(30)15-6-9-19(23)25-13-15/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,30)(H,26,29)