azepan-1-yl-[5-(1,3-benzodioxol-5-yl)thiophen-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(1,3-benzodioxol-5-yl)thiophen-3-yl]methanone Openeye Name: azepan-1-yl-[5-(1,3-benzodioxol-5-yl)-3-thienyl]methanone CAS Name: 1-azepanyl-[5-(1,3-benzodioxol-5-yl)-3-thiophenyl]methanone IUPAC Name: azepan-1-yl-[5-(1,3-benzodioxol-5-yl)thiophen-3-yl]methanone Traditional Name: azepan-1-yl-[5-(1,3-benzodioxol-5-yl)-3-thienyl]methanone Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CSC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CSC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19NO3S/c20-18(19-7-3-1-2-4-8-19)14-10-17(23-11-14)13-5-6-15-16(9-13)22-12-21-15/h5-6,9-11H,1-4,7-8,12H2