(6R,6aR,9S)-5-(4-fluorophenyl)carbonyl-6-(furan-2-yl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR,9S)-5-(4-fluorophenyl)carbonyl-6-(furan-2-yl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR,9S)-5-(4-fluorobenzoyl)-6-(2-furyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR,9S)-5-[(4-fluorophenyl)-oxomethyl]-6-(2-furanyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR,9S)-5-(4-fluorobenzoyl)-6-(furan-2-yl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR,9S)-5-(4-fluorobenzoyl)-6-(2-furyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CC=CO5

Isomeric SMILES

C[C@H]1CC(=O)[C@@H]2[C@@H](N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CC=CO5

InChI

InChI=1S/C25H21FN2O3/c1-15-13-19-23(21(29)14-15)24(22-7-4-12-31-22)28(20-6-3-2-5-18(20)27-19)25(30)16-8-10-17(26)11-9-16/h2-13,15,23-24,27H,14H2,1H3/t15-,23-,24+/m1/s1