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

Systemtic Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine Openeye Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine CAS Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-[3-(1-pyrrolidinyl)propyl]-2-pyridinamine IUPAC Name: 3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine Traditional Name: [3-[3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-2-pyridyl]-(3-pyrrolidinopropyl)amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCCCN4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCCCN4CCCC4)OC

InChI

InChI=1S/C22H28N6O2/c1-29-17-13-16(14-18(15-17)30-2)20-25-22(27-26-20)19-7-5-8-23-21(19)24-9-6-12-28-10-3-4-11-28/h5,7-8,13-15H,3-4,6,9-12H2,1-2H3,(H,23,24)(H,25,26,27)