(4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-oxidanylidene-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile Openeye Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile CAS Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile Traditional Name: (4aR,8aR)-8a-but-3-enyl-2-hex-5-enyl-6-keto-3,4,4a,5-tetrahydro-1H-isoquinoline-1-carbonitrile Formula: C20H28N2O MolecularWeight: 312.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCN1CCC2CC(=O)C=CC2(C1C#N)CCC=C

Isomeric SMILES

C=CCCCCN1CC[C@@H]2CC(=O)C=C[C@@]2(C1C#N)CCC=C

InChI

InChI=1S/C20H28N2O/c1-3-5-7-8-13-22-14-10-17-15-18(23)9-12-20(17,11-6-4-2)19(22)16-21/h3-4,9,12,17,19H,1-2,5-8,10-11,13-15H2/t17-,19?,20+/m1/s1