4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxyisoquinolin-1-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxyisoquinolin-1-yl)cyclohexane-1-carboxamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxy-1-isoquinolyl)cyclohexanecarboxamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxy-1-isoquinolinyl)-1-cyclohexanecarboxamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxyisoquinolin-1-yl)cyclohexane-1-carboxamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(7-methoxy-1-isoquinolyl)cyclohexanecarboxamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2NC(=O)C3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2NC(=O)C3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H29N3O4/c1-31-21-8-5-18-10-11-27-25(22(18)15-21)29-26(30)19-3-6-20(7-4-19)28-16-17-2-9-23-24(14-17)33-13-12-32-23/h2,5,8-11,14-15,19-20,28H,3-4,6-7,12-13,16H2,1H3,(H,27,29,30)