3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-chloranyl-quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-chloranyl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-chloro-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-chloro-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-chloroquinazolin-4-one Traditional Name: 3-[3-(aminomethyl)benzyl]-2-(4-tert-butylphenyl)-6-chloro-quinazolin-4-one Formula: C26H26ClN3O MolecularWeight: 431.95714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC(=CC=C4)CN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC(=CC=C4)CN

InChI

InChI=1S/C26H26ClN3O/c1-26(2,3)20-9-7-19(8-10-20)24-29-23-12-11-21(27)14-22(23)25(31)30(24)16-18-6-4-5-17(13-18)15-28/h4-14H,15-16,28H2,1-3H3