N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: N-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-[1-(2-pyrimidyl)-3-piperidyl]amine Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCCN(C2)C3=NC=CC=N3)CN4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCCN(C2)C3=NC=CC=N3)CN4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-28-20-7-6-17(13-18(20)15-27-12-4-10-25-27)14-24-19-5-2-11-26(16-19)21-22-8-3-9-23-21/h3-4,6-10,12-13,19,24H,2,5,11,14-16H2,1H3