6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-3-(3-methoxy-4-prop-2-enoxy-phenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-allyloxy-3-methoxy-phenyl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-allyloxy-3-methoxy-phenyl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2H-1,2,4-triazin-5-one Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCC4=CC=CC=C4C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=O)C(=NN2)CCC(=O)N3CCC4=CC=CC=C4C3)OCC=C

InChI

InChI=1S/C25H26N4O4/c1-3-14-33-21-10-8-18(15-22(21)32-2)24-26-25(31)20(27-28-24)9-11-23(30)29-13-12-17-6-4-5-7-19(17)16-29/h3-8,10,15H,1,9,11-14,16H2,2H3,(H,26,28,31)