4,4-bis[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione

Systemtic Name: 4,4-bis[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Openeye Name: 4,4-bis[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione CAS Name: 4,4-bis[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione IUPAC Name: 4,4-bis[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione Traditional Name: 4,4-bis(4-chlorobenzyl)-2-p-anisyl-isoquinoline-1,3-quinone Formula: C31H25Cl2NO3 MolecularWeight: 530.4411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H25Cl2NO3/c1-37-26-16-10-23(11-17-26)20-34-29(35)27-4-2-3-5-28(27)31(30(34)36,18-21-6-12-24(32)13-7-21)19-22-8-14-25(33)15-9-22/h2-17H,18-20H2,1H3