6-bromanyl-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride

Systemtic Name: 6-bromanyl-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Openeye Name: N-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6-bromo-quinazolin-4-amine hydrochloride CAS Name: 6-bromo-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-quinazolinamine hydrochloride IUPAC Name: 6-bromo-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine hydrochloride Traditional Name: [4-benzoxy-3-(trifluoromethyl)phenyl]-(6-bromoquinazolin-4-yl)amine hydrochloride Formula: C22H16BrClF3N3O MolecularWeight: 510.73415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)Br)C(F)(F)F.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)Br)C(F)(F)F.Cl

InChI

InChI=1S/C22H15BrF3N3O.ClH/c23-15-6-8-19-17(10-15)21(28-13-27-19)29-16-7-9-20(18(11-16)22(24,25)26)30-12-14-4-2-1-3-5-14;/h1-11,13H,12H2,(H,27,28,29);1H