(E)-3-(2-chlorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-N-[4-(2-pyridylmethoxy)benzyl]acrylamide Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=N3)C(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C28H28ClN3O3/c29-25-9-2-1-7-22(25)13-16-27(33)32(26-10-4-6-18-31-28(26)34)19-21-11-14-24(15-12-21)35-20-23-8-3-5-17-30-23/h1-3,5,7-9,11-17,26H,4,6,10,18-20H2,(H,31,34)/b16-13+/t26-/m0/s1