N-[(4-phenyl-1-pyrimidin-2-yl-piperidin-4-yl)methyl]isoquinolin-1-amine

Systemtic Name: N-[(4-phenyl-1-pyrimidin-2-yl-piperidin-4-yl)methyl]isoquinolin-1-amine Openeye Name: N-[(4-phenyl-1-pyrimidin-2-yl-4-piperidyl)methyl]isoquinolin-1-amine CAS Name: N-[[4-phenyl-1-(2-pyrimidinyl)-4-piperidinyl]methyl]-1-isoquinolinamine IUPAC Name: N-[(4-phenyl-1-pyrimidin-2-ylpiperidin-4-yl)methyl]isoquinolin-1-amine Traditional Name: 1-isoquinolyl-[[4-phenyl-1-(2-pyrimidyl)-4-piperidyl]methyl]amine Formula: C25H25N5 MolecularWeight: 395.4995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5/c1-2-8-21(9-3-1)25(12-17-30(18-13-25)24-27-14-6-15-28-24)19-29-23-22-10-5-4-7-20(22)11-16-26-23/h1-11,14-16H,12-13,17-19H2,(H,26,29)