4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)N(C)C)C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)N(C)C)C#N

InChI

InChI=1S/C21H25N3O/c1-13-16(12-22)19(14-6-8-15(9-7-14)24(4)5)20-17(23-13)10-21(2,3)11-18(20)25/h6-10,19-20,23H,11H2,1-5H3