(3S)-2-[5-(4-fluorophenyl)thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[5-(4-fluorophenyl)thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[5-(4-fluorophenyl)-2-thiophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[5-(4-fluorophenyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H17FN2O2S MolecularWeight: 380.435283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC=C(S3)C4=CC=C(C=C4)F)C(=O)N

InChI

InChI=1S/C21H17FN2O2S/c22-16-7-5-13(6-8-16)18-9-10-19(27-18)21(26)24-12-15-4-2-1-3-14(15)11-17(24)20(23)25/h1-10,17H,11-12H2,(H2,23,25)/t17-/m0/s1