1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-p-cumenyl-6-propargyloxy-quinazolin-2-one Formula: C35H40N2O3 MolecularWeight: 536.7037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H40N2O3/c1-10-17-40-26-15-16-30-27(20-26)31(25-13-11-24(12-14-25)22(2)3)36-33(39)37(30)21-23-18-28(34(4,5)6)32(38)29(19-23)35(7,8)9/h1,11-16,18-20,22,38H,17,21H2,2-9H3