N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide

Systemtic Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide Openeye Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide CAS Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide IUPAC Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]butyramide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22N4O4/c1-14(15-7-5-8-16(13-15)25(28)29)24(2)20(26)12-6-11-19-22-18-10-4-3-9-17(18)21(27)23-19/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,23,27)