(4S)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-7,7-dimethyl-5-oxo-4-(3-pyridyl)-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-2-(1-pyrrolyl)-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-5-keto-7,7-dimethyl-4-(3-pyridyl)-2-pyrrol-1-yl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CN=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N3C=CC=C3)C#N)C4=CN=CC=C4)C(=O)C1)C

InChI

InChI=1S/C21H19N3O2/c1-21(2)10-16(25)19-17(11-21)26-20(24-8-3-4-9-24)15(12-22)18(19)14-6-5-7-23-13-14/h3-9,13,18H,10-11H2,1-2H3/t18-/m0/s1