N-[[(3S)-4-[[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]isoquinoline-1-carboxamide

Systemtic Name: N-[[(3S)-4-[[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]carbonyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]isoquinoline-1-carboxamide Openeye Name: N-[[(3S)-4-[5-(3-fluorophenyl)-2-methyl-thiazole-4-carbonyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]isoquinoline-1-carboxamide CAS Name: N-[[(3S)-4-[[5-(3-fluorophenyl)-2-methyl-4-thiazolyl]-oxomethyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-isoquinolinecarboxamide IUPAC Name: N-[[(3S)-4-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]isoquinoline-1-carboxamide Traditional Name: N-[[(3S)-4-[5-(3-fluorophenyl)-2-methyl-thiazole-4-carbonyl]-4-azabicyclo[3.1.0]hexan-3-yl]methyl]isoquinoline-1-carboxamide Formula: C27H23FN4O2S MolecularWeight: 486.560523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3C(CC4C3C4)CNC(=O)C5=NC=CC6=CC=CC=C65

Isomeric SMILES

CC1=NC(=C(S1)C2=CC(=CC=C2)F)C(=O)N3[C@@H](CC4C3C4)CNC(=O)C5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C27H23FN4O2S/c1-15-31-24(25(35-15)17-6-4-7-19(28)11-17)27(34)32-20(12-18-13-22(18)32)14-30-26(33)23-21-8-3-2-5-16(21)9-10-29-23/h2-11,18,20,22H,12-14H2,1H3,(H,30,33)/t18?,20-,22?/m0/s1