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

Systemtic Name: 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[(3-fluorophenyl)methyl]butanamide Openeye Name: 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-[(3-fluorophenyl)methyl]butanamide CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[(3-fluorophenyl)methyl]butanamide IUPAC Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3-fluorophenyl)methyl]butanamide Traditional Name: N-(3-fluorobenzyl)-4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyramide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4/c1-28-18-10-16-17(11-19(18)29-2)24-13-25(21(16)27)8-4-7-20(26)23-12-14-5-3-6-15(22)9-14/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3,(H,23,26)