2-[(4-chlorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-3H-isoindol-1-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-3H-isoindol-1-one Openeye Name: 2-[(4-chlorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]isoindolin-1-one CAS Name: 2-[(4-chlorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-3H-isoindol-1-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-6-[3-(4-methoxyphenyl)prop-1-ynyl]-3H-isoindol-1-one Traditional Name: 2-(4-chlorobenzyl)-6-[3-(4-methoxyphenyl)prop-1-ynyl]isoindolin-1-one Formula: C25H20ClNO2 MolecularWeight: 401.8848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC#CC2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)Cl)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)CC#CC2=CC3=C(CN(C3=O)CC4=CC=C(C=C4)Cl)C=C2

InChI

InChI=1S/C25H20ClNO2/c1-29-23-13-8-18(9-14-23)3-2-4-19-5-10-21-17-27(25(28)24(21)15-19)16-20-6-11-22(26)12-7-20/h5-15H,3,16-17H2,1H3