3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-azanyl-3,5,6-trimethyl-1-oxidanylidene-3,3a,4,5,6,7-hexahydro-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-azanyl-3,5,6-trimethyl-1-oxidanylidene-3,3a,4,5,6,7-hexahydro-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzenecarbonitrile Openeye Name: 3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-amino-3,5,6-trimethyl-1-oxo-3,3a,4,5,6,7-hexahydroisobenzofuran-4-yl]vinyl]-3-pyridyl]benzonitrile CAS Name: 3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-amino-3,5,6-trimethyl-1-oxo-3,3a,4,5,6,7-hexahydroisobenzofuran-4-yl]ethenyl]-3-pyridinyl]benzonitrile IUPAC Name: 3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-amino-3,5,6-trimethyl-1-oxo-3,3a,4,5,6,7-hexahydro-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile Traditional Name: 3-[6-[(E)-2-[(3R,3aS,4S,5R,6S,7aS)-7a-amino-1-keto-3,5,6-trimethyl-3,3a,4,5,6,7-hexahydroisobenzofuran-4-yl]vinyl]-3-pyridyl]benzonitrile Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(C(OC2=O)C)C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

C[C@H]1C[C@@]2([C@@H]([C@H](OC2=O)C)[C@H]([C@@H]1C)/C=C/C3=NC=C(C=C3)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C25H27N3O2/c1-15-12-25(27)23(17(3)30-24(25)29)22(16(15)2)10-9-21-8-7-20(14-28-21)19-6-4-5-18(11-19)13-26/h4-11,14-17,22-23H,12,27H2,1-3H3/b10-9+/t15-,16+,17+,22-,23-,25-/m0/s1