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

Systemtic Name: methyl 2-[[(2-bromophenyl)methyl-methyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2-bromophenyl)methyl-methyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2-bromophenyl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(2-bromobenzyl)-methyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18BrN3O3 MolecularWeight: 416.26852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1Br)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18BrN3O3/c1-23(10-13-5-3-4-6-15(13)20)11-17-21-16-9-12(19(25)26-2)7-8-14(16)18(24)22-17/h3-9H,10-11H2,1-2H3,(H,21,22,24)