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

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-2-carboxamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-quinolinecarboxamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]quinoline-2-carboxamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-N-[(3S)-2-ketoazepan-3-yl]quinaldamide Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=NC4=CC=CC=C4C=C3)OCC(=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=NC4=CC=CC=C4C=C3)OCC(=C)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-18(28)17-35-25-15-19(10-13-24(25)34-2)16-31(23-9-5-6-14-29-26(23)32)27(33)22-12-11-20-7-3-4-8-21(20)30-22/h3-4,7-8,10-13,15,23H,1,5-6,9,14,16-17H2,2H3,(H,29,32)/t23-/m0/s1