2-azanyl-4-(3-chlorophenyl)-6-ethoxy-5-oxidanylidene-7-phenyl-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-chlorophenyl)-6-ethoxy-5-oxidanylidene-7-phenyl-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(3-chlorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepine-3-carbonitrile CAS Name: 2-amino-4-(3-chlorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(3-chlorophenyl)-6-ethoxy-5-oxo-7-phenyl-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(3-chlorophenyl)-6-ethoxy-5-keto-7-phenyl-4H-oxepin-3-carbonitrile Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)Cl)C#N)N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)Cl)C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O3/c1-2-26-20-18(25)17(14-9-6-10-15(22)11-14)16(12-23)21(24)27-19(20)13-7-4-3-5-8-13/h3-11,17H,2,24H2,1H3