(E)-N-(2-azanyl-1-cyclohexyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-N-(2-azanyl-1-cyclohexyl-2-oxidanylidene-1-pyridin-4-yl-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide Openeye Name: (E)-N-[2-amino-1-cyclohexyl-2-oxo-1-(4-pyridyl)ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxy-4-methoxy-phenyl)-4-oxo-but-2-enamide CAS Name: (E)-N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-2-butenamide IUPAC Name: (E)-N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enamide Traditional Name: (E)-N-[2-amino-1-cyclohexyl-2-keto-1-(4-pyridyl)ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-piperonyl-but-2-enamide Formula: C32H33N3O7 MolecularWeight: 571.62032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC(=O)N(CC2=CC3=C(C=C2)OCO3)C(C4CCCCC4)(C5=CC=NC=C5)C(=O)N)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C(=O)N(CC2=CC3=C(C=C2)OCO3)C(C4CCCCC4)(C5=CC=NC=C5)C(=O)N)O

InChI

InChI=1S/C32H33N3O7/c1-40-24-8-9-25(27(37)18-24)26(36)10-12-30(38)35(19-21-7-11-28-29(17-21)42-20-41-28)32(31(33)39,22-5-3-2-4-6-22)23-13-15-34-16-14-23/h7-18,22,37H,2-6,19-20H2,1H3,(H2,33,39)/b12-10+