7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-3-carboxamide

Systemtic Name: 7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-3-carboxamide Openeye Name: 7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-3-carboxamide CAS Name: 7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-isoquinolinecarboxamide IUPAC Name: 7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-3-carboxamide Traditional Name: 7-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-3-carboxamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CN=C(C=C2C=C1)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)(C)C1=CC2=CN=C(C=C2C=C1)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O3/c1-22(2,3)16-5-4-14-11-18(23-13-15(14)10-16)21(25)24-17-6-7-19-20(12-17)27-9-8-26-19/h4-7,10-13H,8-9H2,1-3H3,(H,24,25)