2-(isoquinolin-1-ylcarbonylamino)-N-(3-oxidanyl-1-phenyl-butyl)butanediamide

Systemtic Name: 2-(isoquinolin-1-ylcarbonylamino)-N-(3-oxidanyl-1-phenyl-butyl)butanediamide Openeye Name: N-(3-hydroxy-1-phenyl-butyl)-2-(isoquinoline-1-carbonylamino)butanediamide CAS Name: N-(3-hydroxy-1-phenylbutyl)-2-[[1-isoquinolinyl(oxo)methyl]amino]butanediamide IUPAC Name: N-(3-hydroxy-1-phenylbutyl)-2-(isoquinoline-1-carbonylamino)butanediamide Traditional Name: N-(3-hydroxy-1-phenyl-butyl)-2-(isoquinoline-1-carbonylamino)succinamide Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC=CC3=CC=CC=C32)O

InChI

InChI=1S/C24H26N4O4/c1-15(29)13-19(17-8-3-2-4-9-17)27-23(31)20(14-21(25)30)28-24(32)22-18-10-6-5-7-16(18)11-12-26-22/h2-12,15,19-20,29H,13-14H2,1H3,(H2,25,30)(H,27,31)(H,28,32)