N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine

Systemtic Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine Openeye Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine CAS Name: N-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1-isoquinolinamine IUPAC Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine Traditional Name: 1-isoquinolyl-[4-[4-(2-pyrimidyl)piperazino]butyl]amine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC2=NC=CC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCNC2=NC=CC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6/c1-2-7-19-18(6-1)8-12-23-20(19)22-9-3-4-13-26-14-16-27(17-15-26)21-24-10-5-11-25-21/h1-2,5-8,10-12H,3-4,9,13-17H2,(H,22,23)