3-[[(2S,3aS,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-[[(2S,3aS,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzenecarbonitrile Openeye Name: 3-[[(2S,3aS,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzonitrile CAS Name: 3-[[(2S,3aS,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzonitrile IUPAC Name: 3-[[(2S,3aS,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzonitrile Traditional Name: 3-[[(2S,3aS,5aR,9aR,9bS,11aR)-7-keto-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-2-yl]oxy]benzonitrile Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(CCC(=O)N2C)(C3C1C4CC(CC4(CC3)C)OC5=CC=CC(=C5)C#N)C

Isomeric SMILES

CC1C[C@@H]2[C@](CCC(=O)N2C)([C@@H]3C1[C@@H]4C[C@@H](C[C@]4(CC3)C)OC5=CC=CC(=C5)C#N)C

InChI

InChI=1S/C27H36N2O2/c1-17-12-23-27(3,11-9-24(30)29(23)4)21-8-10-26(2)15-20(14-22(26)25(17)21)31-19-7-5-6-18(13-19)16-28/h5-7,13,17,20-23,25H,8-12,14-15H2,1-4H3/t17?,20-,21-,22-,23+,25?,26+,27+/m0/s1