3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

Systemtic Name: 3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate Openeye Name: 3-[4-(1-isoquinolyl)piperazin-1-yl]propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamic acid 3-[4-(1-isoquinolinyl)-1-piperazinyl]propyl ester IUPAC Name: 3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamic acid 3-[4-(1-isoquinolyl)piperazino]propyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCOC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O4/c30-25(27-20-6-7-22-23(18-20)32-17-16-31-22)33-15-3-10-28-11-13-29(14-12-28)24-21-5-2-1-4-19(21)8-9-26-24/h1-2,4-9,18H,3,10-17H2,(H,27,30)