(1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxidanylidene-spiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]-1-carboxamide

Systemtic Name: (1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxidanylidene-spiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]-1-carboxamide Openeye Name: (1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-spiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]-1-carboxamide CAS Name: (1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-1-spiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]carboxamide IUPAC Name: (1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxospiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]-1-carboxamide Traditional Name: (1S,3aS,9aR,11aS)-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-7-keto-6,9a,11a-trimethyl-spiro[1,2,3,3a,3b,4,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-5,1'-cyclopropane]-1-carboxamide Formula: C29H39N5O2 MolecularWeight: 489.65226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC6(CC6)C7C3(CCC(=O)N7C)C

Isomeric SMILES

C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC6(CC6)C7[C@@]3(CCC(=O)N7C)C

InChI

InChI=1S/C29H39N5O2/c1-27-10-8-19-17(15-29(12-13-29)26-28(19,2)11-9-23(35)34(26)3)18(27)6-7-20(27)25(36)31-16-22-32-21-5-4-14-30-24(21)33-22/h4-5,14,17-20,26H,6-13,15-16H2,1-3H3,(H,31,36)(H,30,32,33)/t17?,18-,19?,20+,26?,27-,28+/m0/s1