(4S,4aS,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aS,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aS,7R)-4-(2-isopropoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aS,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aS,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aS,7R)-4-(2-isopropoxyphenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C26H26N2O2 MolecularWeight: 398.49684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4OC(C)C)C#N

Isomeric SMILES

CC1=C([C@H]([C@H]2C(=N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=C4OC(C)C)C#N

InChI

InChI=1S/C26H26N2O2/c1-16(2)30-24-12-8-7-11-20(24)25-21(15-27)17(3)28-22-13-19(14-23(29)26(22)25)18-9-5-4-6-10-18/h4-12,16,19,25-26H,13-14H2,1-3H3/t19-,25-,26+/m1/s1