1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 1-[(3-ethylphenyl)methyl]-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-(3-ethylbenzyl)-4-p-cumenyl-6-propargyloxy-quinazolin-2-one Formula: C29H28N2O2 MolecularWeight: 436.54482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)OCC#C)C(=NC2=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)OCC#C)C(=NC2=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H28N2O2/c1-5-16-33-25-14-15-27-26(18-25)28(24-12-10-23(11-13-24)20(3)4)30-29(32)31(27)19-22-9-7-8-21(6-2)17-22/h1,7-15,17-18,20H,6,16,19H2,2-4H3