[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxidanylidene-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ethanoate

Systemtic Name: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxidanylidene-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ethanoate Openeye Name: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate CAS Name: acetic acid [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ester IUPAC Name: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate Traditional Name: acetic acid [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-7-keto-12a-methyl-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)NCCC34)C)C#C

Isomeric SMILES

CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)NCC[C@H]34)C)C#C

InChI

InChI=1S/C22H29NO3/c1-4-22(26-14(2)24)11-8-19-18-6-5-15-13-20(25)23-12-9-16(15)17(18)7-10-21(19,22)3/h1,13,16-19H,5-12H2,2-3H3,(H,23,25)/t16-,17+,18+,19-,21-,22-/m0/s1