2-[4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenoxy]-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenoxy]-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenoxy]-N,N-dicyclohexyl-acetamide CAS Name: 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2-methoxyphenoxy]-N,N-dicyclohexylacetamide IUPAC Name: 2-[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxyphenoxy]-N,N-dicyclohexylacetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)-2-methoxy-phenoxy]-N,N-dicyclohexyl-acetamide Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC(=O)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C31H39N3O5/c1-37-27-17-20(29-23(18-32)31(33)39-26-14-8-13-24(35)30(26)29)15-16-25(27)38-19-28(36)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h15-17,21-22,29H,2-14,19,33H2,1H3