N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c28-21(27-12-7-18-5-1-2-6-19(18)17-27)24-10-4-11-25-13-15-26(16-14-25)20-22-8-3-9-23-20/h1-3,5-6,8-9H,4,7,10-17H2,(H,24,28)