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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OCCO5)C6=NC=CC=N6

InChI

InChI=1S/C26H24N6O3/c33-25(30-18-6-7-22-23(16-18)35-15-14-34-22)21-17-29-24(20-5-2-1-4-19(20)21)31-10-12-32(13-11-31)26-27-8-3-9-28-26/h1-9,16-17H,10-15H2,(H,30,33)