6-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCCCCC3)O)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3(CCCCCC3)O)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-14(12-25)24-11-8-15-16(20(24)27)6-7-17(22)18(15)19(26)23-13-21(28)9-4-2-3-5-10-21/h6-8,11,14,25,28H,2-5,9-10,12-13H2,1H3,(H,23,26)/t14-/m1/s1