1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline; carbanide; iridium; hydrate

Systemtic Name: 1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline; carbanide; iridium; hydrate Openeye Name: 1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline; carbanide; iridium; hydrate CAS Name: 1-(4-tert-butyl-1-benzene-6-idyl)isoquinoline; carbanide; iridium; hydrate IUPAC Name: 1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline; carbanide; iridium; hydrate Traditional Name: 1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline; carbanide; iridium; hydrate Formula: C20H23IrNO-2 MolecularWeight: 485.61972

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(C)(C)C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.O.[Ir]

Isomeric SMILES

[CH3-].CC(C)(C)C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.O.[Ir]

InChI

InChI=1S/C19H18N.CH3.Ir.H2O/c1-19(2,3)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)12-13-20-18;;;/h4-8,10-13H,1-3H3;1H3;;1H2/q2*-1;;