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

Systemtic Name: 6-methyl-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-[(1-hydroxycycloheptyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-6-methyl-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(1-hydroxycycloheptyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(1-hydroxycycloheptyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxoisoquinoline-5-carboxamide Traditional Name: N-[(1-hydroxycycloheptyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-6-methyl-isoquinoline-5-carboxamide Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C(C)CO)C(=O)NCC3(CCCCCC3)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)[C@H](C)CO)C(=O)NCC3(CCCCCC3)O

InChI

InChI=1S/C22H30N2O4/c1-15-7-8-18-17(9-12-24(21(18)27)16(2)13-25)19(15)20(26)23-14-22(28)10-5-3-4-6-11-22/h7-9,12,16,25,28H,3-6,10-11,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1