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

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-methyl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-methyl-quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-methyl-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(4-tert-butylphenyl)-6-methylquinazolin-4-one Traditional Name: 3-[3-(aminomethyl)benzyl]-2-(4-tert-butylphenyl)-6-methyl-quinazolin-4-one Formula: C27H29N3O MolecularWeight: 411.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)CN)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)CN)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3O/c1-18-8-13-24-23(14-18)26(31)30(17-20-7-5-6-19(15-20)16-28)25(29-24)21-9-11-22(12-10-21)27(2,3)4/h5-15H,16-17,28H2,1-4H3