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

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-6-ethoxy-5-oxidanylidene-7-propyl-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-6-ethoxy-5-oxo-7-propyl-4H-oxepine-3-carbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-6-ethoxy-5-oxo-7-propyl-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-6-ethoxy-5-oxo-7-propyl-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-6-ethoxy-5-keto-7-propyl-4H-oxepin-3-carbonitrile Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)OCC

Isomeric SMILES

CCCC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)OCC

InChI

InChI=1S/C18H19ClN2O3/c1-3-5-14-17(23-4-2)16(22)15(13(10-20)18(21)24-14)11-6-8-12(19)9-7-11/h6-9,15H,3-5,21H2,1-2H3