3-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[2-chloranyl-4-(trifluoromethyloxy)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one Openeye Name: 3-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one CAS Name: 3-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(1-piperazinylmethyl)-4-quinazolinone IUPAC Name: 3-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(piperazin-1-ylmethyl)quinazolin-4-one Traditional Name: 3-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(piperazinomethyl)quinazolin-4-one Formula: C20H18ClF3N4O2 MolecularWeight: 438.83073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)OC(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1)CC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)OC(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N4O2/c21-15-11-13(30-20(22,23)24)5-6-17(15)28-18(12-27-9-7-25-8-10-27)26-16-4-2-1-3-14(16)19(28)29/h1-6,11,25H,7-10,12H2