2-[(3,4-dichlorophenyl)methyl]-5-(3-imidazol-1-ylprop-1-ynyl)isoindole-1,3-dione

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-5-(3-imidazol-1-ylprop-1-ynyl)isoindole-1,3-dione Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-5-(3-imidazol-1-ylprop-1-ynyl)isoindoline-1,3-dione CAS Name: 2-[(3,4-dichlorophenyl)methyl]-5-[3-(1-imidazolyl)prop-1-ynyl]isoindole-1,3-dione IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-5-(3-imidazol-1-ylprop-1-ynyl)isoindole-1,3-dione Traditional Name: 2-(3,4-dichlorobenzyl)-5-(3-imidazol-1-ylprop-1-ynyl)isoindoline-1,3-quinone Formula: C21H13Cl2N3O2 MolecularWeight: 410.25282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)C#CCN4C=CN=C4)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)C#CCN4C=CN=C4)Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O2/c22-18-6-4-15(11-19(18)23)12-26-20(27)16-5-3-14(10-17(16)21(26)28)2-1-8-25-9-7-24-13-25/h3-7,9-11,13H,8,12H2