3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

Systemtic Name: 3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole Openeye Name: 3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)isoxazole CAS Name: 3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)isoxazole IUPAC Name: 3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole Traditional Name: 3-(1,4-diazepan-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)isoxazole Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NO2)CN3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NO2)CN3CCCNCC3

InChI

InChI=1S/C18H25N3O4/c1-22-16-9-13(10-17(23-2)18(16)24-3)15-11-14(20-25-15)12-21-7-4-5-19-6-8-21/h9-11,19H,4-8,12H2,1-3H3