N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-3-pyrazolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C28H30N7O+ MolecularWeight: 480.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N7O/c36-27(20-33-14-16-34(17-15-33)28-29-12-5-13-30-28)31-26-19-25(32-35(26)24-8-2-1-3-9-24)23-11-10-21-6-4-7-22(21)18-23/h1-3,5,8-13,18-19H,4,6-7,14-17,20H2,(H,31,36)/p+1