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

Systemtic Name: N-(cycloheptylmethyl)-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-(cycloheptylmethyl)-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(cycloheptylmethyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC3CCCCCC3

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC3CCCCCC3

InChI

InChI=1S/C21H28N2O3/c1-15(14-24)23-12-11-17-18(9-6-10-19(17)21(23)26)20(25)22-13-16-7-4-2-3-5-8-16/h6,9-12,15-16,24H,2-5,7-8,13-14H2,1H3,(H,22,25)/t15-/m1/s1