1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(3-chlorophenyl)-6,7-diethoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)Cl)OCC

InChI

InChI=1S/C26H26ClNO4/c1-4-31-23-14-18-15-25(29)28(20-9-11-21(30-3)12-10-20)26(17-7-6-8-19(27)13-17)22(18)16-24(23)32-5-2/h6-14,16,26H,4-5,15H2,1-3H3