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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1

InChI

InChI=1S/C23H18ClN3O3/c24-14-3-1-4-15(10-14)27-17-5-2-6-18(28)22(17)21(16(11-25)23(27)26)13-7-8-19-20(9-13)30-12-29-19/h1,3-4,7-10,21H,2,5-6,12,26H2