5-tert-butyl-N-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[6-chloranyl-2-(phenylcarbonyl)-1H-indol-3-yl]-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide Openeye Name: N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-benzyl-5-tert-butyl-1H-pyrazol-2-ium-3-carboxamide CAS Name: N-(2-benzoyl-6-chloro-1H-indol-3-yl)-5-tert-butyl-2-(phenylmethyl)-1H-pyrazol-2-ium-3-carboxamide IUPAC Name: N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-benzyl-5-tert-butyl-1H-pyrazol-2-ium-3-carboxamide Traditional Name: N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-benzyl-5-tert-butyl-1H-pyrazol-2-ium-3-carboxamide Formula: C30H28ClN4O2+ MolecularWeight: 512.02192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=[N+](N1)CC2=CC=CC=C2)C(=O)NC3=C(NC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=[N+](N1)CC2=CC=CC=C2)C(=O)NC3=C(NC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H27ClN4O2/c1-30(2,3)25-17-24(35(34-25)18-19-10-6-4-7-11-19)29(37)33-26-22-15-14-21(31)16-23(22)32-27(26)28(36)20-12-8-5-9-13-20/h4-17H,18H2,1-3H3,(H2,32,33,34,36,37)/p+1