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

Systemtic Name: N-[6-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[(4-acetyl-N-prop-2-ynyl-anilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[(4-acetyl-N-propargyl-anilino)methyl]-4-keto-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)NC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)NC(=O)C(C)(C)C

InChI

InChI=1S/C25H26N4O3/c1-6-13-29(19-10-8-18(9-11-19)16(2)30)15-17-7-12-21-20(14-17)22(31)27-24(26-21)28-23(32)25(3,4)5/h1,7-12,14H,13,15H2,2-5H3,(H2,26,27,28,31,32)