5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-dione

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-dione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-dione CAS Name: 5-[2-(1-azepanyl)-2-oxo-1-phenylethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-dione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-dione Traditional Name: 5-[2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]-1,2-dihydropyrazolo[4,3-c]pyridine-3,4-quinone Formula: C20H22N4O3 MolecularWeight: 366.41368

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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(=O)NN4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c25-18-16-15(21-22-18)10-13-24(19(16)26)17(14-8-4-3-5-9-14)20(27)23-11-6-1-2-7-12-23/h3-5,8-10,13,17H,1-2,6-7,11-12H2,(H2,21,22,25)