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

Systemtic Name: 2,2-dimethyl-N-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-N-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: 2,2-dimethyl-N-[(4-nitro-N-prop-2-ynyl-anilino)methyl]-N-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: 2,2-dimethyl-N-[(4-nitro-N-prop-2-ynylanilino)methyl]-N-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: 2,2-dimethyl-N-[(4-nitro-N-prop-2-ynylanilino)methyl]-N-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-(4-keto-1H-quinazolin-2-yl)-2,2-dimethyl-N-[(4-nitro-N-propargyl-anilino)methyl]propionamide Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CN(CC#C)C1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C(=O)N(CN(CC#C)C1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H23N5O4/c1-5-14-26(16-10-12-17(13-11-16)28(31)32)15-27(21(30)23(2,3)4)22-24-19-9-7-6-8-18(19)20(29)25-22/h1,6-13H,14-15H2,2-4H3,(H,24,25,29)