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

Systemtic Name: methyl 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[cyclohexyl-(4-fluorobenzyl)amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H26FN3O3 MolecularWeight: 423.479943

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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=C(C=C3)F)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C24H26FN3O3/c1-31-24(30)17-9-12-20-21(13-17)26-22(27-23(20)29)15-28(19-5-3-2-4-6-19)14-16-7-10-18(25)11-8-16/h7-13,19H,2-6,14-15H2,1H3,(H,26,27,29)