1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propan-1-one Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c24-22(23-12-6-1-2-7-13-23)15-19(17-8-4-3-5-9-17)18-10-11-20-21(14-18)26-16-25-20/h3-5,8-11,14,19H,1-2,6-7,12-13,15-16H2