5-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxymethyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(1,3-benzodioxol-5-yloxymethyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxymethyl)oxazole-4-carbonitrile Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)COC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C18H19N3O4/c19-10-14-18(21-7-3-1-2-4-8-21)25-17(20-14)11-22-13-5-6-15-16(9-13)24-12-23-15/h5-6,9H,1-4,7-8,11-12H2