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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H20ClN3O3 MolecularWeight: 433.8869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)CCC3)Cl

InChI

InChI=1S/C24H20ClN3O3/c1-13-5-7-15(10-17(13)25)28-18-3-2-4-19(29)23(18)22(16(11-26)24(28)27)14-6-8-20-21(9-14)31-12-30-20/h5-10,22H,2-4,12,27H2,1H3