N-[(3S)-1-ethyl-2-oxidanylidene-azepan-3-yl]-N-[(3-methyl-4-propoxy-phenyl)methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(3S)-1-ethyl-2-oxidanylidene-azepan-3-yl]-N-[(3-methyl-4-propoxy-phenyl)methyl]-2-phenoxy-ethanamide Openeye Name: N-[(3S)-1-ethyl-2-oxo-azepan-3-yl]-N-[(3-methyl-4-propoxy-phenyl)methyl]-2-phenoxy-acetamide CAS Name: N-[(3S)-1-ethyl-2-oxo-3-azepanyl]-N-[(3-methyl-4-propoxyphenyl)methyl]-2-phenoxyacetamide IUPAC Name: N-[(3S)-1-ethyl-2-oxoazepan-3-yl]-N-[(3-methyl-4-propoxyphenyl)methyl]-2-phenoxyacetamide Traditional Name: N-[(3S)-1-ethyl-2-keto-azepan-3-yl]-N-(3-methyl-4-propoxy-benzyl)-2-phenoxy-acetamide Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN(C2CCCCN(C2=O)CC)C(=O)COC3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN([C@H]2CCCCN(C2=O)CC)C(=O)COC3=CC=CC=C3)C

InChI

InChI=1S/C27H36N2O4/c1-4-17-32-25-15-14-22(18-21(25)3)19-29(24-13-9-10-16-28(5-2)27(24)31)26(30)20-33-23-11-7-6-8-12-23/h6-8,11-12,14-15,18,24H,4-5,9-10,13,16-17,19-20H2,1-3H3/t24-/m0/s1