3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-1-ethyl-6-(trifluoromethyl)quinolin-4-one Openeye Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-ethyl-6-(trifluoromethyl)-4-quinolinone IUPAC Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one Traditional Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)-4-quinolone Formula: C30H28F3N3O2 MolecularWeight: 519.55743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28F3N3O2/c1-2-34-20-25(28(37)24-19-23(30(31,32)33)13-14-26(24)34)29(38)36-17-15-35(16-18-36)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,27H,2,15-18H2,1H3