N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NCC5COC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NCC5COC6=CC=CC=C6O5

InChI

InChI=1S/C28H27N5O3/c34-28(31-17-20-19-35-24-9-3-4-10-25(24)36-20)23-18-30-27(22-8-2-1-7-21(22)23)33-15-13-32(14-16-33)26-11-5-6-12-29-26/h1-12,18,20H,13-17,19H2,(H,31,34)