N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoranyl-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoranyl-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoro-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoro-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethyl)-8-fluoro-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C26H26F2N2O2 MolecularWeight: 436.493646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3CC3)C(=O)NC(C4CCC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3CC3)C(=O)N[C@@H](C4CCC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H26F2N2O2/c1-15-22(20-9-4-10-21(28)23(20)26(32)30(15)14-16-11-12-16)25(31)29-24(17-5-2-6-17)18-7-3-8-19(27)13-18/h3-4,7-10,13,16-17,24H,2,5-6,11-12,14H2,1H3,(H,29,31)/t24-/m0/s1