[6-[[(4-carbonochloridoylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-[[(4-carbonochloridoylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-4-oxidanylidene-quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-[(4-chlorocarbonyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-4-oxo-quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-[(4-carbonochloridoyl-N-prop-2-ynylanilino)methyl]-2-methyl-4-oxo-3-quinazolinyl]methyl ester IUPAC Name: [6-[(4-carbonochloridoyl-N-prop-2-ynylanilino)methyl]-2-methyl-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-[(4-chlorocarbonyl-N-propargyl-anilino)methyl]-4-keto-2-methyl-quinazolin-3-yl]methyl ester Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)Cl)C(=O)N1COC(=O)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)Cl)C(=O)N1COC(=O)C(C)(C)C

InChI

InChI=1S/C26H26ClN3O4/c1-6-13-29(20-10-8-19(9-11-20)23(27)31)15-18-7-12-22-21(14-18)24(32)30(17(2)28-22)16-34-25(33)26(3,4)5/h1,7-12,14H,13,15-16H2,2-5H3