6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one

Systemtic Name: 6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one Openeye Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-[2-(4-pyridyl)ethynyl]-3H-quinazolin-2-one CAS Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one IUPAC Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one Traditional Name: 6-chloro-4-cyclopropyl-1-p-anisyl-4-[2-(4-pyridyl)ethynyl]-3H-quinazolin-2-one Formula: C26H22ClN3O2 MolecularWeight: 443.92478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4=CC=NC=C4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4=CC=NC=C4)C5CC5

InChI

InChI=1S/C26H22ClN3O2/c1-32-22-7-2-19(3-8-22)17-30-24-9-6-21(27)16-23(24)26(20-4-5-20,29-25(30)31)13-10-18-11-14-28-15-12-18/h2-3,6-9,11-12,14-16,20H,4-5,17H2,1H3,(H,29,31)