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

Systemtic Name: (1S)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: (1S)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: (1S)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: (1S)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: (1S)-2-(4-chlorophenyl)-6,7-diethoxy-1-(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)Cl)C4=CC=C(C=C4)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H](N(C(=O)CC2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC)OCC

InChI

InChI=1S/C26H26ClNO4/c1-4-31-23-14-18-15-25(29)28(20-10-8-19(27)9-11-20)26(22(18)16-24(23)32-5-2)17-6-12-21(30-3)13-7-17/h6-14,16,26H,4-5,15H2,1-3H3/t26-/m0/s1