2-[[2-cyclopropylcarbonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Openeye Name: N-allyl-2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide Traditional Name: N-allyl-2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C5CC5)C=C2

Isomeric SMILES

C=CCNC(=O)C1=CSC(=N1)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C5CC5)C=C2

InChI

InChI=1S/C27H26FN3O3S/c1-2-11-29-26(32)23-16-35-24(30-23)15-34-21-9-8-17-10-12-31(27(33)18-6-7-18)25(22(17)14-21)19-4-3-5-20(28)13-19/h2-5,8-9,13-14,16,18,25H,1,6-7,10-12,15H2,(H,29,32)