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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=CC=C2)C(C3=NC=CC=N3)NC4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CNCCC1(C2=CC=CC=C2)C(C3=NC=CC=N3)NC4=NC=CC5=CC=CC=C54

InChI

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