N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-1,3-dihydroisoindole-2-carboxamide

Systemtic Name: N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-1,3-dihydroisoindole-2-carboxamide Openeye Name: N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]isoindoline-2-carboxamide CAS Name: N-[6-(4-cyclopentyl-1-piperazinyl)-4-pyrimidinyl]-1,3-dihydroisoindole-2-carboxamide IUPAC Name: N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-1,3-dihydroisoindole-2-carboxamide Traditional Name: N-[6-(4-cyclopentylpiperazino)pyrimidin-4-yl]isoindoline-2-carboxamide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=CC(=NC=N3)NC(=O)N4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=CC(=NC=N3)NC(=O)N4CC5=CC=CC=C5C4

InChI

InChI=1S/C22H28N6O/c29-22(28-14-17-5-1-2-6-18(17)15-28)25-20-13-21(24-16-23-20)27-11-9-26(10-12-27)19-7-3-4-8-19/h1-2,5-6,13,16,19H,3-4,7-12,14-15H2,(H,23,24,25,29)