2-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(2-chloro-6-ethoxy-3-quinolinyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(2-chloro-6-ethoxyquinolin-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(2-chloro-6-ethoxy-3-quinolyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC4=C3C(=O)CCC4)N)C#N

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C(=C(OC4=C3C(=O)CCC4)N)C#N

InChI

InChI=1S/C21H18ClN3O3/c1-2-27-12-6-7-15-11(8-12)9-13(20(22)25-15)18-14(10-23)21(24)28-17-5-3-4-16(26)19(17)18/h6-9,18H,2-5,24H2,1H3