N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

Systemtic Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine Openeye Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-5-(trifluoromethyl)pyridin-2-amine CAS Name: N-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)-2-pyridinamine IUPAC Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine Traditional Name: [1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C26H31F3N4O2 MolecularWeight: 488.54515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H31F3N4O2/c1-3-34-22-15-19(16-23(35-4-2)25(22)33-11-5-6-12-33)18-32-13-9-21(10-14-32)31-24-8-7-20(17-30-24)26(27,28)29/h5-8,11-12,15-17,21H,3-4,9-10,13-14,18H2,1-2H3,(H,30,31)