N-cyclopentyl-1-(oxan-2-yl)-3-phenyl-5-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]indazol-1-ium-1-carboxamide

Systemtic Name: N-cyclopentyl-1-(oxan-2-yl)-3-phenyl-5-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]indazol-1-ium-1-carboxamide Openeye Name: N-cyclopentyl-3-phenyl-1-tetrahydropyran-2-yl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide CAS Name: N-cyclopentyl-1-(2-oxanyl)-3-phenyl-5-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]-1-indazol-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-(oxan-2-yl)-3-phenyl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide Traditional Name: N-cyclopentyl-3-phenyl-1-tetrahydropyran-2-yl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide Formula: C45H43N6O2+ MolecularWeight: 699.86192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)[N+]2(C3=C(C=C(C=C3)C4=NN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)C8=CC=CC=C8)C9CCCCO9

Isomeric SMILES

C1CCC(C1)NC(=O)[N+]2(C3=C(C=C(C=C3)C4=NN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=N2)C8=CC=CC=C8)C9CCCCO9

InChI

InChI=1S/C45H42N6O2/c52-44(47-38-25-13-14-26-38)51(41-27-15-16-30-53-41)40-29-28-34(31-39(40)42(49-51)33-17-5-1-6-18-33)43-46-32-50(48-43)45(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-12,17-24,28-29,31-32,38,41H,13-16,25-27,30H2/p+1