azepan-1-yl-[1-(2-chlorophenyl)-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-chlorophenyl)-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-chlorophenyl)-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl]methanone CAS Name: 1-azepanyl-[1-(2-chlorophenyl)-3,6-dimethyl-4-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2-chlorophenyl)-3,6-dimethyl-pyrazolo[3,4-b]pyridin-4-yl]methanone Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C3=CC=CC=C3Cl)C)C(=C1)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C(=NN2C3=CC=CC=C3Cl)C)C(=C1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H23ClN4O/c1-14-13-16(21(27)25-11-7-3-4-8-12-25)19-15(2)24-26(20(19)23-14)18-10-6-5-9-17(18)22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3