2-azanyl-4-(4-chlorophenyl)-7-methyl-5-oxidanylidene-6-phenylmethoxy-4H-oxepine-3-carbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O3/c1-13-20(26-12-14-5-3-2-4-6-14)19(25)18(17(11-23)21(24)27-13)15-7-9-16(22)10-8-15/h2-10,18H,12,24H2,1H3