1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrrolidin-1-yl-2-adamantyl)-1,2,3,4-tetrazole

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrrolidin-1-yl-2-adamantyl)-1,2,3,4-tetrazole Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrrolidin-1-yl-2-adamantyl)tetrazole CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(1-pyrrolidinyl)-2-adamantyl]tetrazole IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrrolidin-1-yl-2-adamantyl)tetrazole Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrrolidino-2-adamantyl)tetrazole Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(C3CC4CC(C3)CC2C4)C5=NN=NN5C6=CC7=C(C=C6)OCCO7

Isomeric SMILES

C1CCN(C1)C2(C3CC4CC(C3)CC2C4)C5=NN=NN5C6=CC7=C(C=C6)OCCO7

InChI

InChI=1S/C23H29N5O2/c1-2-6-27(5-1)23(17-10-15-9-16(12-17)13-18(23)11-15)22-24-25-26-28(22)19-3-4-20-21(14-19)30-8-7-29-20/h3-4,14-18H,1-2,5-13H2