(4S)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(3-iodophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C19H19IN2O MolecularWeight: 418.27143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C#N

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C#N

InChI

InChI=1S/C19H19IN2O/c1-11-14(10-21)17(12-5-4-6-13(20)7-12)18-15(22-11)8-19(2,3)9-16(18)23/h4-7,17,22H,8-9H2,1-3H3/t17-/m0/s1