N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-2-phenyl-butanamide

Systemtic Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-2-phenyl-butanamide Openeye Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-2-phenyl-butanamide CAS Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-thiazolyl]-2-phenylbutanamide IUPAC Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide Traditional Name: N-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiazol-2-yl]-2-phenyl-butyramide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)CN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)CN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C25H29N3O3S/c1-4-21(17-8-6-5-7-9-17)24(29)27-25-26-20(16-32-25)15-28-11-10-18-12-22(30-2)23(31-3)13-19(18)14-28/h5-9,12-13,16,21H,4,10-11,14-15H2,1-3H3,(H,26,27,29)