(2S)-2-(4-tert-butylphenyl)-3-(4-chloranyl-3-methyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-3-(4-chloranyl-3-methyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-tert-butylphenyl)-3-(4-chloro-3-methyl-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-tert-butylphenyl)-3-(4-chloro-3-methylphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-tert-butylphenyl)-3-(4-chloro-3-methylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(4-tert-butylphenyl)-3-(4-chloro-3-methyl-phenyl)-1,2-dihydroquinazolin-4-one Formula: C25H25ClN2O MolecularWeight: 404.9318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C25H25ClN2O/c1-16-15-19(13-14-21(16)26)28-23(17-9-11-18(12-10-17)25(2,3)4)27-22-8-6-5-7-20(22)24(28)29/h5-15,23,27H,1-4H3/t23-/m0/s1