1-[(4-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-(4-ethoxybenzyl)-4-p-cumenyl-6-propargyloxy-quinazolin-2-one Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC#C)C(=NC2=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC#C)C(=NC2=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H28N2O3/c1-5-17-34-25-15-16-27-26(18-25)28(23-11-9-22(10-12-23)20(3)4)30-29(32)31(27)19-21-7-13-24(14-8-21)33-6-2/h1,7-16,18,20H,6,17,19H2,2-4H3