1-(azepan-1-yl)-2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]ethanone Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O4/c21-18(20-7-3-1-2-4-8-20)11-14-10-16(24-19-14)13-5-6-15-17(9-13)23-12-22-15/h5-6,9-10H,1-4,7-8,11-12H2