2-butan-2-yl-1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]guanidine

Systemtic Name: 2-butan-2-yl-1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]guanidine Openeye Name: 1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-2-sec-butyl-guanidine CAS Name: 2-butan-2-yl-1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]methyl]guanidine IUPAC Name: 2-butan-2-yl-1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]guanidine Traditional Name: 1-cyano-1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-2-sec-butyl-guanidine Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)N(CC1CCN(CC1)CC2COC3=CC=CC=C3O2)C#N

Isomeric SMILES

CCC(C)N=C(N)N(CC1CCN(CC1)CC2COC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C21H31N5O2/c1-3-16(2)24-21(23)26(15-22)12-17-8-10-25(11-9-17)13-18-14-27-19-6-4-5-7-20(19)28-18/h4-7,16-18H,3,8-14H2,1-2H3,(H2,23,24)