N-[6-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-[[(3,4-dichlorophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-[(3,4-dichloro-N-prop-2-ynyl-anilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-[(3,4-dichloro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-[(3,4-dichloro-N-propargyl-anilino)methyl]-4-keto-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C23H22Cl2N4O2 MolecularWeight: 457.35238

Click to see the large picture

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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22Cl2N4O2/c1-5-10-29(15-7-8-17(24)18(25)12-15)13-14-6-9-19-16(11-14)20(30)27-22(26-19)28-21(31)23(2,3)4/h1,6-9,11-12H,10,13H2,2-4H3,(H2,26,27,28,30,31)