2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-keto-7,7-dimethyl-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H25N5OS MolecularWeight: 455.5746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CN=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCC4)C#N)N)C#N)C5=CN=CC=C5)C(=O)C1)C

InChI

InChI=1S/C26H25N5OS/c1-26(2)10-19-23(20(32)11-26)22(15-6-5-9-30-14-15)18(13-28)24(29)31(19)25-17(12-27)16-7-3-4-8-21(16)33-25/h5-6,9,14,22H,3-4,7-8,10-11,29H2,1-2H3