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

Systemtic Name: azepan-1-yl-[4-chloranyl-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]methanone Openeye Name: azepan-1-yl-[4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]methanone CAS Name: 1-azepanyl-[4-chloro-1-(3-methoxyphenyl)-3-methyl-5-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[4-chloro-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone Traditional Name: azepan-1-yl-[4-chloro-1-(3-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]methanone Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCCCC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCCCC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H23ClN4O2/c1-14-18-19(22)17(21(27)25-10-5-3-4-6-11-25)13-23-20(18)26(24-14)15-8-7-9-16(12-15)28-2/h7-9,12-13H,3-6,10-11H2,1-2H3