6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol

Systemtic Name: 6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol Openeye Name: 6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol CAS Name: 6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methyl-2-heptanol IUPAC Name: 6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methylheptan-2-ol Traditional Name: 6-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]-2-methyl-heptan-2-ol Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NCC1=C(NN=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CCCC(C)(C)O)NCC1=C(NN=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O3/c1-13(5-4-8-19(2,3)23)20-10-15-11-21-22-18(15)14-6-7-16-17(9-14)25-12-24-16/h6-7,9,11,13,20,23H,4-5,8,10,12H2,1-3H3,(H,21,22)