(4S)-1-(anthracen-9-ylmethyl)-6-chloranyl-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one

Systemtic Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloranyl-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Openeye Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-3H-quinazolin-2-one CAS Name: (4S)-1-(9-anthracenylmethyl)-6-chloro-4-cyclopropyl-4-[2-(2-pyridinyl)ethynyl]-3H-quinazolin-2-one IUPAC Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloro-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-3H-quinazolin-2-one Traditional Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-[2-(2-pyridyl)ethynyl]-3H-quinazolin-2-one Formula: C33H24ClN3O MolecularWeight: 514.01616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=C5C=CC=CC5=CC6=CC=CC=C64)C#CC7=CC=CC=N7

Isomeric SMILES

C1CC1[C@@]2(C3=C(C=CC(=C3)Cl)N(C(=O)N2)CC4=C5C=CC=CC5=CC6=CC=CC=C64)C#CC7=CC=CC=N7

InChI

InChI=1S/C33H24ClN3O/c34-25-14-15-31-30(20-25)33(24-12-13-24,17-16-26-9-5-6-18-35-26)36-32(38)37(31)21-29-27-10-3-1-7-22(27)19-23-8-2-4-11-28(23)29/h1-11,14-15,18-20,24H,12-13,21H2,(H,36,38)/t33-/m1/s1