(6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-thiophen-2-ylcarbonyl-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-thiophen-2-ylcarbonyl-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-(thiophene-2-carbonyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-[oxo(thiophen-2-yl)methyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-(thiophene-2-carbonyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R)-6-(4-fluorophenyl)-9,9-dimethyl-5-(2-thenoyl)-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H23FN2O2S MolecularWeight: 446.536423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=CC=CC=C3N(C(C2C(=O)C1)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5)C

Isomeric SMILES

CC1(CC2=NC3=CC=CC=C3N([C@H](C2C(=O)C1)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5)C

InChI

InChI=1S/C26H23FN2O2S/c1-26(2)14-19-23(21(30)15-26)24(16-9-11-17(27)12-10-16)29(25(31)22-8-5-13-32-22)20-7-4-3-6-18(20)28-19/h3-13,23-24H,14-15H2,1-2H3/t23?,24-/m0/s1