3-heptan-2-yloxy-4-methoxy-2-[phenyl(pyridin-4-ylmethyl)amino]cyclohex-2-en-1-one

Systemtic Name: 3-heptan-2-yloxy-4-methoxy-2-[phenyl(pyridin-4-ylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 4-methoxy-3-(1-methylhexoxy)-2-[N-(4-pyridylmethyl)anilino]cyclohex-2-en-1-one CAS Name: 3-heptan-2-yloxy-4-methoxy-2-[N-(pyridin-4-ylmethyl)anilino]-1-cyclohex-2-enone IUPAC Name: 3-heptan-2-yloxy-4-methoxy-2-[N-(pyridin-4-ylmethyl)anilino]cyclohex-2-en-1-one Traditional Name: 4-methoxy-3-(1-methylhexoxy)-2-[N-(4-pyridylmethyl)anilino]cyclohex-2-en-1-one Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1=C(C(=O)CCC1OC)N(CC2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(C)OC1=C(C(=O)CCC1OC)N(CC2=CC=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2O3/c1-4-5-7-10-20(2)31-26-24(30-3)14-13-23(29)25(26)28(22-11-8-6-9-12-22)19-21-15-17-27-18-16-21/h6,8-9,11-12,15-18,20,24H,4-5,7,10,13-14,19H2,1-3H3