N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-8-oxidanyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-8-oxidanyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Openeye Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-8-hydroxy-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide CAS Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-8-hydroxy-3-methyl-2-(3-pyridinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-8-hydroxy-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Traditional Name: N-[(S)-(3-fluorophenyl)-(2-ketocyclopropyl)methyl]-8-hydroxy-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide Formula: C26H22FN3O3 MolecularWeight: 443.469583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CN1C3=CN=CC=C3)C(=CC=C2)O)C(=O)NC(C4CC4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(CN1C3=CN=CC=C3)C(=CC=C2)O)C(=O)N[C@@H](C4CC4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H22FN3O3/c1-15-24(26(33)29-25(20-12-23(20)32)16-5-2-6-17(27)11-16)19-8-3-9-22(31)21(19)14-30(15)18-7-4-10-28-13-18/h2-11,13,20,25,31H,12,14H2,1H3,(H,29,33)/t20?,25-/m1/s1