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

Systemtic Name: azepan-1-yl-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methanone Openeye Name: azepan-1-yl-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methanone CAS Name: 1-azepanyl-(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: azepan-1-yl-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone Traditional Name: azepan-1-yl-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methanone Formula: C20H21ClN4O MolecularWeight: 368.85994

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O/c1-14-17-18(21)16(20(26)24-11-7-2-3-8-12-24)13-22-19(17)25(23-14)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3