N-[(1R)-1,4-diphenylbutyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[(1R)-1,4-diphenylbutyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[(1R)-1,4-diphenylbutyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[(1R)-1,4-diphenylbutyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[(1R)-1,4-diphenylbutyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[(1R)-1,4-diphenylbutyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CCC[C@H](C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C26H24N2O2/c29-25-22-16-8-7-15-21(22)18-24(28-25)26(30)27-23(20-13-5-2-6-14-20)17-9-12-19-10-3-1-4-11-19/h1-8,10-11,13-16,18,23H,9,12,17H2,(H,27,30)(H,28,29)/t23-/m1/s1