methyl 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H25FN4O4 MolecularWeight: 440.467403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)F

InChI

InChI=1S/C23H25FN4O4/c1-31-20-6-3-15(11-18(20)24)13-27-7-9-28(10-8-27)14-21-25-19-12-16(23(30)32-2)4-5-17(19)22(29)26-21/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,25,26,29)