ethyl 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(4-benzhydrylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzhydrylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(4-benzhydrylpiperazino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C29H27F3N4O2 MolecularWeight: 520.54549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C29H27F3N4O2/c1-2-38-27(37)22-13-14-24-23(19-22)26(34-28(33-24)29(30,31)32)36-17-15-35(16-18-36)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,2,15-18H2,1H3