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

Systemtic Name: 2,2-dimethyl-N-[6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-4-oxidanylidene-1H-quinazolin-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[6-[(4-nitro-N-prop-2-ynyl-anilino)methyl]-4-oxo-1H-quinazolin-2-yl]propanamide CAS Name: 2,2-dimethyl-N-[6-[(4-nitro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[6-[(4-nitro-N-prop-2-ynylanilino)methyl]-4-oxo-1H-quinazolin-2-yl]propanamide Traditional Name: N-[4-keto-6-[(4-nitro-N-propargyl-anilino)methyl]-1H-quinazolin-2-yl]-2,2-dimethyl-propionamide Formula: C23H23N5O4 MolecularWeight: 433.45982

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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)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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