(4-propylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: (4-propylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: (4-propylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: (4-propyl-1-piperazinyl)-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: (4-propylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: (4-propylpiperazino)-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H31N7O/c1-2-10-29-11-13-31(14-12-29)24(33)22-19-28-23(21-7-4-3-6-20(21)22)30-15-17-32(18-16-30)25-26-8-5-9-27-25/h3-9,19H,2,10-18H2,1H3