N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyridinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyridyl)piperazino]isoquinoline-4-carboxamide Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H25N5O3/c33-27(30-19-8-9-23-24(17-19)35-16-15-34-23)22-18-29-26(21-6-2-1-5-20(21)22)32-13-11-31(12-14-32)25-7-3-4-10-28-25/h1-10,17-18H,11-16H2,(H,30,33)