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

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-2-cyclopropyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-2-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-cyclopropyl-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-2-cyclopropyl-N-[(3S)-2-ketoazepan-3-yl]cinchoninamide Formula: C30H32ClN3O4 MolecularWeight: 534.04578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCCNC2=O)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)OCC(=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)OCC(=C)Cl

InChI

InChI=1S/C30H32ClN3O4/c1-19(31)18-38-28-15-20(10-13-27(28)37-2)17-34(26-9-5-6-14-32-29(26)35)30(36)23-16-25(21-11-12-21)33-24-8-4-3-7-22(23)24/h3-4,7-8,10,13,15-16,21,26H,1,5-6,9,11-12,14,17-18H2,2H3,(H,32,35)/t26-/m0/s1