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

Systemtic Name: methyl 2-[[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(4-carbamoylphenyl)methyl-cyclopropyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4-carbamoylphenyl)methyl-cyclopropylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-carbamoylphenyl)methyl-cyclopropylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-carbamoylbenzyl)-cyclopropyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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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)C(=O)N)C4CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=CC=C(C=C3)C(=O)N)C4CC4

InChI

InChI=1S/C22H22N4O4/c1-30-22(29)15-6-9-17-18(10-15)24-19(25-21(17)28)12-26(16-7-8-16)11-13-2-4-14(5-3-13)20(23)27/h2-6,9-10,16H,7-8,11-12H2,1H3,(H2,23,27)(H,24,25,28)