azepan-1-yl-[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Systemtic Name: azepan-1-yl-[4-chloranyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]methanone Openeye Name: azepan-1-yl-[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridin-5-yl]methanone CAS Name: 1-azepanyl-[4-chloro-3-methyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]methanone Traditional Name: azepan-1-yl-[4-chloro-3-methyl-1-(p-tolyl)pyrazolo[3,4-b]pyridin-5-yl]methanone Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H23ClN4O/c1-14-7-9-16(10-8-14)26-20-18(15(2)24-26)19(22)17(13-23-20)21(27)25-11-5-3-4-6-12-25/h7-10,13H,3-6,11-12H2,1-2H3