4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxyisoquinolin-1-yl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxyisoquinolin-1-yl)piperazine-1-carboxamide Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxy-1-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxy-1-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxyisoquinolin-1-yl)piperazine-1-carboxamide Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-(7-methoxy-1-isoquinolyl)piperazine-1-carboxamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2NC(=O)N3CCN(CC3)CCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2NC(=O)N3CCN(CC3)CCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H28N4O4/c1-31-20-4-3-19-6-8-26-24(21(19)17-20)27-25(30)29-12-10-28(11-13-29)9-7-18-2-5-22-23(16-18)33-15-14-32-22/h2-6,8,16-17H,7,9-15H2,1H3,(H,26,27,30)