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

Systemtic Name: (4-tert-butylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: (4-tert-butylphenyl)-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)methanone Formula: C31H30N2O2 MolecularWeight: 462.5821

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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=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O2/c1-7-18-35-25-16-17-27-26(19-25)28(22-10-8-21(9-11-22)20(2)3)33-30(32-27)29(34)23-12-14-24(15-13-23)31(4,5)6/h1,8-17,19-20H,18H2,2-6H3