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

Systemtic Name: N-cyclopropyl-1-(oxan-2-yl)-3-phenyl-5-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]indazol-1-ium-1-carboxamide Openeye Name: N-cyclopropyl-3-phenyl-1-tetrahydropyran-2-yl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide CAS Name: N-cyclopropyl-1-(2-oxanyl)-3-phenyl-5-[1-(triphenylmethyl)-1,2,4-triazol-3-yl]-1-indazol-1-iumcarboxamide IUPAC Name: N-cyclopropyl-1-(oxan-2-yl)-3-phenyl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide Traditional Name: N-cyclopropyl-3-phenyl-1-tetrahydropyran-2-yl-5-(1-trityl-1,2,4-triazol-3-yl)indazol-1-ium-1-carboxamide Formula: C43H39N6O2+ MolecularWeight: 671.80876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)[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)C(=O)NC9CC9

Isomeric SMILES

C1CCOC(C1)[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)C(=O)NC9CC9

InChI

InChI=1S/C43H38N6O2/c50-42(45-36-25-26-36)49(39-23-13-14-28-51-39)38-27-24-32(29-37(38)40(47-49)31-15-5-1-6-16-31)41-44-30-48(46-41)43(33-17-7-2-8-18-33,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-12,15-22,24,27,29-30,36,39H,13-14,23,25-26,28H2/p+1