2-[[2,3-dihydro-1H-1-benzazepin-4-ylcarbonyl-[3-(trifluoromethyl)phenyl]amino]-oxidanyl-methyl]-4-methyl-pyridin-3-olate

Systemtic Name: 2-[[2,3-dihydro-1H-1-benzazepin-4-ylcarbonyl-[3-(trifluoromethyl)phenyl]amino]-oxidanyl-methyl]-4-methyl-pyridin-3-olate Openeye Name: 2-[[N-(2,3-dihydro-1H-1-benzazepine-4-carbonyl)-3-(trifluoromethyl)anilino]-hydroxy-methyl]-4-methyl-pyridin-3-olate CAS Name: 2-[[N-[2,3-dihydro-1H-1-benzazepin-4-yl(oxo)methyl]-3-(trifluoromethyl)anilino]-hydroxymethyl]-4-methyl-3-pyridinolate IUPAC Name: 2-[[N-(2,3-dihydro-1H-1-benzazepine-4-carbonyl)-3-(trifluoromethyl)anilino]-hydroxymethyl]-4-methylpyridin-3-olate Traditional Name: 2-[[N-(2,3-dihydro-1H-1-benzazepine-4-carbonyl)-3-(trifluoromethyl)anilino]-hydroxy-methyl]-4-methyl-pyridin-3-olate Formula: C25H21F3N3O3- MolecularWeight: 468.44775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)C(N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4NCC3)O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)C(N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4NCC3)O)[O-]

InChI

InChI=1S/C25H22F3N3O3/c1-15-9-11-30-21(22(15)32)24(34)31(19-7-4-6-18(14-19)25(26,27)28)23(33)17-10-12-29-20-8-3-2-5-16(20)13-17/h2-9,11,13-14,24,29,32,34H,10,12H2,1H3/p-1