7-(3-oxidanylpropyl)-7-phenyl-3-[1-(4-thiophen-2-ylphenyl)ethyl]-1,3-oxazepan-2-one

Systemtic Name: 7-(3-oxidanylpropyl)-7-phenyl-3-[1-(4-thiophen-2-ylphenyl)ethyl]-1,3-oxazepan-2-one Openeye Name: 7-(3-hydroxypropyl)-7-phenyl-3-[1-[4-(2-thienyl)phenyl]ethyl]-1,3-oxazepan-2-one CAS Name: 7-(3-hydroxypropyl)-7-phenyl-3-[1-(4-thiophen-2-ylphenyl)ethyl]-1,3-oxazepan-2-one IUPAC Name: 7-(3-hydroxypropyl)-7-phenyl-3-[1-(4-thiophen-2-ylphenyl)ethyl]-1,3-oxazepan-2-one Traditional Name: 7-(3-hydroxypropyl)-7-phenyl-3-[1-[4-(2-thienyl)phenyl]ethyl]-1,3-oxazepan-2-one Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CS2)N3CCCC(OC3=O)(CCCO)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC=CS2)N3CCCC(OC3=O)(CCCO)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO3S/c1-20(21-11-13-22(14-12-21)24-10-5-19-31-24)27-17-6-15-26(16-7-18-28,30-25(27)29)23-8-3-2-4-9-23/h2-5,8-14,19-20,28H,6-7,15-18H2,1H3