phenyl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone

Systemtic Name: phenyl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: [4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-phenyl-methanone CAS Name: phenyl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: phenyl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: (4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)-phenyl-methanone Formula: C27H22N2O2 MolecularWeight: 406.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O2/c1-4-16-31-22-14-15-24-23(17-22)25(20-12-10-19(11-13-20)18(2)3)29-27(28-24)26(30)21-8-6-5-7-9-21/h1,5-15,17-18H,16H2,2-3H3