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

Systemtic Name: 2-azanyl-6-ethoxy-4-(4-methylphenyl)-5-oxidanylidene-7-phenyl-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-6-ethoxy-5-oxo-7-phenyl-4-(p-tolyl)-4H-oxepine-3-carbonitrile CAS Name: 2-amino-6-ethoxy-4-(4-methylphenyl)-5-oxo-7-phenyl-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-6-ethoxy-4-(4-methylphenyl)-5-oxo-7-phenyl-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-6-ethoxy-5-keto-7-phenyl-4-(p-tolyl)-4H-oxepin-3-carbonitrile Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-3-26-21-19(25)18(15-11-9-14(2)10-12-15)17(13-23)22(24)27-20(21)16-7-5-4-6-8-16/h4-12,18H,3,24H2,1-2H3