(4S)-6-chloranyl-4-cyclopropyl-1-(phenylmethyl)-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one

Systemtic Name: (4S)-6-chloranyl-4-cyclopropyl-1-(phenylmethyl)-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Openeye Name: (4S)-1-benzyl-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-3H-quinazolin-2-one CAS Name: (4S)-6-chloro-4-cyclopropyl-1-(phenylmethyl)-4-[2-(2-pyridinyl)ethynyl]-3H-quinazolin-2-one IUPAC Name: (4S)-1-benzyl-6-chloro-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Traditional Name: (4S)-1-benzyl-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-3H-quinazolin-2-one Formula: C25H20ClN3O MolecularWeight: 413.8988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=CC=CC=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1CC1[C@@]2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=CC=CC=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C25H20ClN3O/c26-20-11-12-23-22(16-20)25(19-9-10-19,14-13-21-8-4-5-15-27-21)28-24(30)29(23)17-18-6-2-1-3-7-18/h1-8,11-12,15-16,19H,9-10,17H2,(H,28,30)/t25-/m1/s1