2-(2-hydroxyethyl)-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: 2-(2-hydroxyethyl)-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-[(1-hydroxycycloheptyl)methyl]-2-(2-hydroxyethyl)-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(1-hydroxycycloheptyl)methyl]-2-(2-hydroxyethyl)-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(1-hydroxycycloheptyl)methyl]-2-(2-hydroxyethyl)-1-oxoisoquinoline-5-carboxamide Traditional Name: N-[(1-hydroxycycloheptyl)methyl]-2-(2-hydroxyethyl)-1-keto-isoquinoline-5-carboxamide Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CCO)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=CC=CC3=C2C=CN(C3=O)CCO)O

InChI

InChI=1S/C20H26N2O4/c23-13-12-22-11-8-15-16(6-5-7-17(15)19(22)25)18(24)21-14-20(26)9-3-1-2-4-10-20/h5-8,11,23,26H,1-4,9-10,12-14H2,(H,21,24)