6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-[2,2,2-tris(fluoranyl)ethanoyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-(2,2,2-trifluoro-1-oxoethyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-fluorophenyl)-9-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H22F4N2O3 MolecularWeight: 510.479493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=CC=C5)F)C(=O)C2

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC(=CC=C5)F)C(=O)C2

InChI

InChI=1S/C28H22F4N2O3/c1-37-20-11-9-16(10-12-20)18-14-22-25(24(35)15-18)26(17-5-4-6-19(29)13-17)34(27(36)28(30,31)32)23-8-3-2-7-21(23)33-22/h2-13,18,26,33H,14-15H2,1H3