methyl 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[cyclopropyl-(2-fluorobenzyl)amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=CC=CC=C3F)C4CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C21H20FN3O3/c1-28-21(27)13-6-9-16-18(10-13)23-19(24-20(16)26)12-25(15-7-8-15)11-14-4-2-3-5-17(14)22/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,23,24,26)