4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Formula: C24H18BrClN2O3 MolecularWeight: 497.76832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4Br)OCO5)C#N

InChI

InChI=1S/C24H18BrClN2O3/c1-12-17(10-27)23(16-8-21-22(9-18(16)25)31-11-30-21)24-19(28-12)6-14(7-20(24)29)13-2-4-15(26)5-3-13/h2-6,8-9,14,23-24,28H,7,11H2,1H3