(4S,4aR)-2-azanyl-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxidanylidene-3,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S,4aR)-2-azanyl-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxidanylidene-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S,4aR)-2-amino-4-(benzofuran-3-yl)-7,7-dimethyl-5-oxo-3,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: (4S,4aR)-2-amino-4-(3-benzofuranyl)-7,7-dimethyl-5-oxo-3,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S,4aR)-2-amino-4-(1-benzofuran-3-yl)-7,7-dimethyl-5-oxo-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S,4aR)-2-amino-4-(benzofuran-3-yl)-5-keto-7,7-dimethyl-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C(C(=NC2=C1)N)C#N)C3=COC4=CC=CC=C43)C

Isomeric SMILES

CC1(CC(=O)[C@@H]2[C@H](C(C(=NC2=C1)N)C#N)C3=COC4=CC=CC=C43)C

InChI

InChI=1S/C20H19N3O2/c1-20(2)7-14-18(15(24)8-20)17(12(9-21)19(22)23-14)13-10-25-16-6-4-3-5-11(13)16/h3-7,10,12,17-18H,8H2,1-2H3,(H2,22,23)/t12?,17-,18-/m1/s1