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

Systemtic Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-4-methyl-1-(3-phenylpropanoyl)piperazin-1-ium-1-carboxamide Openeye Name: N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-4-methyl-1-(3-phenylpropanoyl)piperazin-1-ium-1-carboxamide CAS Name: N-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-4-methyl-1-(1-oxo-3-phenylpropyl)-1-piperazin-1-iumcarboxamide IUPAC Name: N-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-4-methyl-1-(3-phenylpropanoyl)piperazin-1-ium-1-carboxamide Traditional Name: 1-hydrocinnamoyl-N-[2-(1H-indazol-6-ylamino)-3-pyridyl]-4-methyl-piperazin-1-ium-1-carboxamide Formula: C27H30N7O2+ MolecularWeight: 484.5728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C(=O)CCC2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

Isomeric SMILES

CN1CC[N+](CC1)(C(=O)CCC2=CC=CC=C2)C(=O)NC3=C(N=CC=C3)NC4=CC5=C(C=C4)C=NN5

InChI

InChI=1S/C27H29N7O2/c1-33-14-16-34(17-15-33,25(35)12-9-20-6-3-2-4-7-20)27(36)31-23-8-5-13-28-26(23)30-22-11-10-21-19-29-32-24(21)18-22/h2-8,10-11,13,18-19H,9,12,14-17H2,1H3,(H2-,28,29,30,31,32,36)/p+1