3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-[3-(1-pyrrolidinyl)propyl]-2-pyridinamine IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine Traditional Name: [3-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-(3-pyrrolidinopropyl)amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=C(C=CC=N2)C3=NC(=NN3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)CCCNC2=C(C=CC=N2)C3=NC(=NN3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N6O2/c1-2-11-27(10-1)12-4-9-23-20-16(5-3-8-22-20)21-24-19(25-26-21)15-6-7-17-18(13-15)29-14-28-17/h3,5-8,13H,1-2,4,9-12,14H2,(H,22,23)(H,24,25,26)