3-(1-ethynyl-11a-methyl-1-oxidanyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroindeno[5,4-f]isochromen-10-yl)-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-(1-ethynyl-11a-methyl-1-oxidanyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroindeno[5,4-f]isochromen-10-yl)-4-phenyl-benzenecarbonitrile Openeye Name: 3-(1-ethynyl-1-hydroxy-11a-methyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroindeno[5,4-f]isochromen-10-yl)-4-phenyl-benzonitrile CAS Name: 3-(1-ethynyl-1-hydroxy-11a-methyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroindeno[5,4-f][2]benzopyran-10-yl)-4-phenylbenzonitrile IUPAC Name: 3-(1-ethynyl-1-hydroxy-11a-methyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroindeno[5,4-f]isochromen-10-yl)-4-phenylbenzonitrile Traditional Name: 3-(1-ethynyl-1-hydroxy-11a-methyl-3a,3b,4,5,8,9,9a,9b,10,11-decahydroinden[5,4-f]isochromen-10-yl)-4-phenyl-benzonitrile Formula: C32H31NO2 MolecularWeight: 461.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1C=CC2(C#C)O)CCC4=COCCC34)C5=C(C=CC(=C5)C#N)C6=CC=CC=C6

Isomeric SMILES

CC12CC(C3C(C1C=CC2(C#C)O)CCC4=COCCC34)C5=C(C=CC(=C5)C#N)C6=CC=CC=C6

InChI

InChI=1S/C32H31NO2/c1-3-32(34)15-13-29-26-12-10-23-20-35-16-14-25(23)30(26)28(18-31(29,32)2)27-17-21(19-33)9-11-24(27)22-7-5-4-6-8-22/h1,4-9,11,13,15,17,20,25-26,28-30,34H,10,12,14,16,18H2,2H3