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

Systemtic Name: 2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-N-[(1-oxidanylcycloheptyl)methyl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: 2-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 2-[(2R)-1-amino-1-oxopropan-2-yl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 2-[(2R)-1-amino-1-oxopropan-2-yl]-N-[(1-hydroxycycloheptyl)methyl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 2-[(1R)-2-amino-2-keto-1-methyl-ethyl]-N-[(1-hydroxycycloheptyl)methyl]-1-keto-isoquinoline-5-carboxamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-14(18(22)25)24-12-9-15-16(7-6-8-17(15)20(24)27)19(26)23-13-21(28)10-4-2-3-5-11-21/h6-9,12,14,28H,2-5,10-11,13H2,1H3,(H2,22,25)(H,23,26)/t14-/m1/s1