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

Systemtic Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloranyl-4-cyclopropyl-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one Openeye Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-[2-(4-pyridyl)ethynyl]-3H-quinazolin-2-one CAS Name: (4S)-1-(9-anthracenylmethyl)-6-chloro-4-cyclopropyl-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one IUPAC Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloro-4-cyclopropyl-4-(2-pyridin-4-ylethynyl)-3H-quinazolin-2-one Traditional Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-[2-(4-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=NC=C7

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=NC=C7

InChI

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