tert-butyl 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H25N3O3/c1-6-13-27(19-10-8-18(9-11-19)23(29)30-24(3,4)5)15-17-7-12-21-20(14-17)22(28)26-16(2)25-21/h1,7-12,14H,13,15H2,2-5H3,(H,25,26,28)