2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-cycloheptyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-keto-5-isoquinolyl]acetamide Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCCC(CC1)CC(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H30N2O4/c30-26(17-19-6-3-1-2-4-7-19)28-23-9-5-8-22-21(23)12-13-29(27(22)31)18-20-10-11-24-25(16-20)33-15-14-32-24/h5,8-13,16,19H,1-4,6-7,14-15,17-18H2,(H,28,30)