N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-4-methyl-1-(3-phenylpropyl)piperazin-1-ium-1-carboxamide

Systemtic Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-4-methyl-1-(3-phenylpropyl)piperazin-1-ium-1-carboxamide Openeye Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-4-methyl-1-(3-phenylpropyl)piperazin-1-ium-1-carboxamide CAS Name: N-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-4-methyl-1-(3-phenylpropyl)-1-piperazin-1-iumcarboxamide IUPAC Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-4-methyl-1-(3-phenylpropyl)piperazin-1-ium-1-carboxamide Traditional Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-4-methyl-1-(3-phenylpropyl)piperazin-1-ium-1-carboxamide Formula: C27H32N7O+ MolecularWeight: 470.58928

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CCCC2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

Isomeric SMILES

CN1CC[N+](CC1)(CCCC2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

InChI

InChI=1S/C27H31N7O/c1-33-14-17-34(18-15-33,16-6-9-21-7-3-2-4-8-21)27(35)31-24-10-5-13-28-26(24)30-23-12-11-22-20-29-32-25(22)19-23/h2-5,7-8,10-13,19-20H,6,9,14-18H2,1H3,(H2-,28,29,30,31,32,35)/p+1