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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pent-4-enamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(2-pyridylmethoxy)phenyl]methyl]pent-4-enamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[4-(2-pyridinylmethoxy)phenyl]methyl]-4-pentenamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pent-4-enamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[4-(2-pyridylmethoxy)benzyl]pent-4-enamide Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N(CC1=CC=C(C=C1)OCC2=CC=CC=N2)C3CCCCNC3=O

Isomeric SMILES

C=CCCC(=O)N(CC1=CC=C(C=C1)OCC2=CC=CC=N2)[C@H]3CCCCNC3=O

InChI

InChI=1S/C24H29N3O3/c1-2-3-10-23(28)27(22-9-5-7-16-26-24(22)29)17-19-11-13-21(14-12-19)30-18-20-8-4-6-15-25-20/h2,4,6,8,11-15,22H,1,3,5,7,9-10,16-18H2,(H,26,29)/t22-/m0/s1