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

Systemtic Name: N-(cycloheptylmethyl)-6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-6-methyl-1-oxo-isoquinoline-5-carboxamide CAS Name: N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-6-methyl-isoquinoline-5-carboxamide Formula: C22H30N2O3 MolecularWeight: 370.4852

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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)NCC3CCCCCC3

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)[C@H](C)CO)C(=O)NCC3CCCCCC3

InChI

InChI=1S/C22H30N2O3/c1-15-9-10-19-18(11-12-24(22(19)27)16(2)14-25)20(15)21(26)23-13-17-7-5-3-4-6-8-17/h9-12,16-17,25H,3-8,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1