N-ethynyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine

Systemtic Name: N-ethynyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Openeye Name: N-ethynyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperidin-4-amine CAS Name: N-ethynyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-4-piperidinamine IUPAC Name: N-ethynyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Traditional Name: ethynyl-[1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]-4-piperidyl]amine Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)NC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)NC#C

InChI

InChI=1S/C22H27N3O3/c1-5-23-18-7-10-25(11-8-18)15-16-6-9-24-19(12-16)17-13-20(26-2)22(28-4)21(14-17)27-3/h1,6,9,12-14,18,23H,7-8,10-11,15H2,2-4H3