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

Systemtic Name: N-[[(4-cyanophenyl)-prop-2-ynyl-amino]methyl]-2,2-dimethyl-N-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(4-cyano-N-prop-2-ynyl-anilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(4-cyano-N-prop-2-ynylanilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(4-cyano-N-prop-2-ynylanilino)methyl]-2,2-dimethyl-N-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[(4-cyano-N-propargyl-anilino)methyl]-N-(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)N(CN(CC#C)C1=CC=C(C=C1)C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C(=O)N(CN(CC#C)C1=CC=C(C=C1)C#N)C2=NC(=O)C3=CC=CC=C3N2

InChI

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