N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]pyridine-4-carboxamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]pyridine-4-carboxamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-pyridinecarboxamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]pyridine-4-carboxamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-N-[(3S)-2-ketoazepan-3-yl]isonicotinamide Formula: C23H26ClN3O4 MolecularWeight: 443.92324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=NC=C3)OCC(=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=NC=C3)OCC(=C)Cl

InChI

InChI=1S/C23H26ClN3O4/c1-16(24)15-31-21-13-17(6-7-20(21)30-2)14-27(19-5-3-4-10-26-22(19)28)23(29)18-8-11-25-12-9-18/h6-9,11-13,19H,1,3-5,10,14-15H2,2H3,(H,26,28)/t19-/m0/s1