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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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