1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzyl-1,4-diazepan-1-yl)propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzyl-1,4-diazepan-1-yl)propan-2-ol Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-piperonyloxy-propan-2-ol Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(COCC2=CC3=C(C=C2)OCO3)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(COCC2=CC3=C(C=C2)OCO3)O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4/c26-21(17-27-16-20-7-8-22-23(13-20)29-18-28-22)15-25-10-4-9-24(11-12-25)14-19-5-2-1-3-6-19/h1-3,5-8,13,21,26H,4,9-12,14-18H2