2-azanyl-4-(5-butylthiophen-2-yl)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-butylthiophen-2-yl)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-2-thiophenyl)-1-(3-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-butylthiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-2-thienyl)-1-(3-chloro-2-methyl-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H26ClN3OS MolecularWeight: 452.01144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C(=CC=C4)Cl)C)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C(=CC=C4)Cl)C)N)C#N

InChI

InChI=1S/C25H26ClN3OS/c1-3-4-7-16-12-13-22(31-16)23-17(14-27)25(28)29(19-9-5-8-18(26)15(19)2)20-10-6-11-21(30)24(20)23/h5,8-9,12-13,23H,3-4,6-7,10-11,28H2,1-2H3