N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-(2-morpholin-4-ylethyl)indol-1-ium-1-carboxamide

Systemtic Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-(2-morpholin-4-ylethyl)indol-1-ium-1-carboxamide Openeye Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-1-(2-morpholinoethyl)indol-1-ium-1-carboxamide CAS Name: N-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-1-[2-(4-morpholinyl)ethyl]-1-indol-1-iumcarboxamide IUPAC Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-1-(2-morpholin-4-ylethyl)indol-1-ium-1-carboxamide Traditional Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-1-(2-morpholinoethyl)indol-1-ium-1-carboxamide Formula: C27H28N7O2+ MolecularWeight: 482.55692

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2(C=CC3=CC=CC=C32)C(=O)NC4=C(N=CC=C4)NC5=CC6=C(C=C5)C=NN6

Isomeric SMILES

C1COCCN1CC[N+]2(C=CC3=CC=CC=C32)C(=O)NC4=C(N=CC=C4)NC5=CC6=C(C=C5)C=NN6

InChI

InChI=1S/C27H27N7O2/c35-27(31-23-5-3-10-28-26(23)30-22-8-7-21-19-29-32-24(21)18-22)34(15-11-33-12-16-36-17-13-33)14-9-20-4-1-2-6-25(20)34/h1-10,14,18-19H,11-13,15-17H2,(H2-,28,29,30,31,32,35)/p+1