N-[(4-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(4-chlorobenzyl)-4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyramide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H22ClN3O4/c1-28-18-10-16-17(11-19(18)29-2)24-13-25(21(16)27)9-3-4-20(26)23-12-14-5-7-15(22)8-6-14/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,26)