N-[(3S,5R)-5-[[methanoyl(oxidanyl)amino]methyl]-2-methyl-4-oxidanylidene-nonan-3-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[(3S,5R)-5-[[methanoyl(oxidanyl)amino]methyl]-2-methyl-4-oxidanylidene-nonan-3-yl]isoquinoline-1-carboxamide Openeye Name: N-[(1S,3R)-3-[[formyl(hydroxy)amino]methyl]-1-isopropyl-2-oxo-heptyl]isoquinoline-1-carboxamide CAS Name: N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]isoquinoline-1-carboxamide Traditional Name: N-[(1S,3R)-3-[[formyl(hydroxy)amino]methyl]-1-isopropyl-2-keto-heptyl]isoquinoline-1-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)C1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C22H29N3O4/c1-4-5-8-17(13-25(29)14-26)21(27)19(15(2)3)24-22(28)20-18-10-7-6-9-16(18)11-12-23-20/h6-7,9-12,14-15,17,19,29H,4-5,8,13H2,1-3H3,(H,24,28)/t17-,19+/m1/s1