2-[2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-bromophenyl)methyl-methylamino]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[(4-bromophenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-bromobenzyl)-methyl-amino]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C19H17BrN4O MolecularWeight: 397.26848

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C19H17BrN4O/c1-23(12-14-6-8-15(20)9-7-14)13-18-22-17-5-3-2-4-16(17)19(25)24(18)11-10-21/h2-9H,11-13H2,1H3