2-[3-[3-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: 2-[3-[3-[(4-fluoranylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: 2-[3-[3-[(4-fluorophenoxy)methyl]-1-piperidyl]propylamino]pyrimidine-4-carboxamide CAS Name: 2-[3-[3-[(4-fluorophenoxy)methyl]-1-piperidinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: 2-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: 2-[3-[3-[(4-fluorophenoxy)methyl]piperidino]propylamino]pyrimidine-4-carboxamide Formula: C20H26FN5O2 MolecularWeight: 387.451143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCNC2=NC=CC(=N2)C(=O)N)COC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(CN(C1)CCCNC2=NC=CC(=N2)C(=O)N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN5O2/c21-16-4-6-17(7-5-16)28-14-15-3-1-11-26(13-15)12-2-9-23-20-24-10-8-18(25-20)19(22)27/h4-8,10,15H,1-3,9,11-14H2,(H2,22,27)(H,23,24,25)