N-[6-[[(4-cyanophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[[(4-cyanophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[(4-cyano-N-prop-2-ynyl-anilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-[(4-cyano-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[(4-cyano-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[(4-cyano-N-propargyl-anilino)methyl]-4-keto-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H23N5O2/c1-5-12-29(18-9-6-16(14-25)7-10-18)15-17-8-11-20-19(13-17)21(30)27-23(26-20)28-22(31)24(2,3)4/h1,6-11,13H,12,15H2,2-4H3,(H2,26,27,28,30,31)