3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-oxidanyl-1,1-diphenyl-propan-2-one

Systemtic Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-oxidanyl-1,1-diphenyl-propan-2-one Openeye Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-hydroxy-1,1-diphenyl-propan-2-one CAS Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-hydroxy-1,1-diphenyl-2-propanone IUPAC Name: 3-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-diazepan-1-yl]-1-hydroxy-1,1-diphenylpropan-2-one Traditional Name: 3-(4-homopiperonyl-1,4-diazepan-1-yl)-1-hydroxy-1,1-diphenyl-acetone Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN(C1)CC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H32N2O4/c32-28(29(33,24-8-3-1-4-9-24)25-10-5-2-6-11-25)21-31-16-7-15-30(18-19-31)17-14-23-12-13-26-27(20-23)35-22-34-26/h1-6,8-13,20,33H,7,14-19,21-22H2