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

Systemtic Name: (4S)-6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Openeye Name: (4S)-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-[2-(2-pyridyl)ethynyl]-3H-quinazolin-2-one CAS Name: (4S)-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-[2-(2-pyridinyl)ethynyl]-3H-quinazolin-2-one IUPAC Name: (4S)-6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Traditional Name: (4S)-6-chloro-4-cyclopropyl-1-p-anisyl-4-[2-(2-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=CC=N4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)[C@@](NC2=O)(C#CC4=CC=CC=N4)C5CC5

InChI

InChI=1S/C26H22ClN3O2/c1-32-22-10-5-18(6-11-22)17-30-24-12-9-20(27)16-23(24)26(19-7-8-19,29-25(30)31)14-13-21-4-2-3-15-28-21/h2-6,9-12,15-16,19H,7-8,17H2,1H3,(H,29,31)/t26-/m1/s1