methyl 4-[7-(heptan-4-ylamino)-5-methyl-2-oxidanylidene-1H-imidazo[4,5-b]pyridin-3-yl]benzoate

Systemtic Name: methyl 4-[7-(heptan-4-ylamino)-5-methyl-2-oxidanylidene-1H-imidazo[4,5-b]pyridin-3-yl]benzoate Openeye Name: methyl 4-[5-methyl-2-oxo-7-(1-propylbutylamino)-1H-imidazo[4,5-b]pyridin-3-yl]benzoate CAS Name: 4-[7-(heptan-4-ylamino)-5-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(heptan-4-ylamino)-5-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]benzoate Traditional Name: 4-[2-keto-5-methyl-7-(1-propylbutylamino)-1H-imidazo[4,5-b]pyridin-3-yl]benzoic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC2=C1NC(=O)N2C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC2=C1NC(=O)N2C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H28N4O3/c1-5-7-16(8-6-2)24-18-13-14(3)23-20-19(18)25-22(28)26(20)17-11-9-15(10-12-17)21(27)29-4/h9-13,16H,5-8H2,1-4H3,(H,23,24)(H,25,28)