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

Systemtic Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloranyl-4-cyclopropyl-4-(2-phenylethynyl)-3H-quinazolin-2-one Openeye Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-(2-phenylethynyl)-3H-quinazolin-2-one CAS Name: (4S)-1-(9-anthracenylmethyl)-6-chloro-4-cyclopropyl-4-(2-phenylethynyl)-3H-quinazolin-2-one IUPAC Name: (4S)-1-(anthracen-9-ylmethyl)-6-chloro-4-cyclopropyl-4-(2-phenylethynyl)-3H-quinazolin-2-one Traditional Name: (4S)-1-(9-anthrylmethyl)-6-chloro-4-cyclopropyl-4-(2-phenylethynyl)-3H-quinazolin-2-one Formula: C34H25ClN2O MolecularWeight: 513.0281

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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=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=CC=C7

InChI

InChI=1S/C34H25ClN2O/c35-27-16-17-32-31(21-27)34(26-14-15-26,19-18-23-8-2-1-3-9-23)36-33(38)37(32)22-30-28-12-6-4-10-24(28)20-25-11-5-7-13-29(25)30/h1-13,16-17,20-21,26H,14-15,22H2,(H,36,38)/t34-/m1/s1