(3S)-N-[(3-cyclopentyloxyphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[(3-cyclopentyloxyphenyl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[[3-(cyclopentoxy)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[(3-cyclopentyloxyphenyl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[(3-cyclopentyloxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [3-(cyclopentoxy)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CNC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)CN[C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N4O/c1-2-9-19(8-1)26-20-10-3-6-17(14-20)15-24-18-7-4-13-25(16-18)21-22-11-5-12-23-21/h3,5-6,10-12,14,18-19,24H,1-2,4,7-9,13,15-16H2/t18-/m0/s1