5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-1H-pyrazolo[4,3-c]pyridin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-1H-pyrazolo[4,3-c]pyridin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-1H-pyrazolo[4,3-c]pyridin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxo-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]-1H-pyrazolo[4,3-c]pyridin-4-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=O)C=NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=O)C=NN4

InChI

InChI=1S/C20H22N4O2/c25-19-16-14-21-22-17(16)10-13-24(19)18(15-8-4-3-5-9-15)20(26)23-11-6-1-2-7-12-23/h3-5,8-10,13-14,18H,1-2,6-7,11-12H2,(H,21,22)