3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-morpholino-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(4-morpholinyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-4-keto-2-morpholino-quinazoline-7-carboxamide Formula: C28H27FN4O3 MolecularWeight: 486.537383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)N=C2N5CCOCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)N=C2N5CCOCC5)C

InChI

InChI=1S/C28H27FN4O3/c1-18-3-9-23(15-19(18)2)33-27(35)24-10-6-21(26(34)30-17-20-4-7-22(29)8-5-20)16-25(24)31-28(33)32-11-13-36-14-12-32/h3-10,15-16H,11-14,17H2,1-2H3,(H,30,34)