N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C30H35N5O2+2 MolecularWeight: 497.6312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H33N5O2/c1-23-28(30(37)35(32(23)2)26-16-10-5-11-17-26)31-27(36)22-33-18-20-34(21-19-33)29(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,29H,18-22H2,1-2H3,(H,31,36)/p+2