N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide CAS Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: N-[(S)-(3-fluorophenyl)-(2-ketocyclopropyl)methyl]-3-methyl-2-phenyl-1H-isoquinoline-4-carboxamide Formula: C27H23FN2O2 MolecularWeight: 426.482123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3)C(=O)NC(C4CC4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2CN1C3=CC=CC=C3)C(=O)N[C@@H](C4CC4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23FN2O2/c1-17-25(22-13-6-5-8-19(22)16-30(17)21-11-3-2-4-12-21)27(32)29-26(23-15-24(23)31)18-9-7-10-20(28)14-18/h2-14,23,26H,15-16H2,1H3,(H,29,32)/t23?,26-/m1/s1