(2Z)-2-(1H-imidazol-5-ylmethylidene)-3-methyl-4-phenyl-4-piperazin-1-yl-3-pyridin-2-yl-butanoic acid

Systemtic Name: (2Z)-2-(1H-imidazol-5-ylmethylidene)-3-methyl-4-phenyl-4-piperazin-1-yl-3-pyridin-2-yl-butanoic acid Openeye Name: (2Z)-2-(1H-imidazol-5-ylmethylene)-3-methyl-4-phenyl-4-piperazin-1-yl-3-(2-pyridyl)butanoic acid CAS Name: (2Z)-2-(1H-imidazol-5-ylmethylidene)-3-methyl-4-phenyl-4-(1-piperazinyl)-3-(2-pyridinyl)butanoic acid IUPAC Name: (2Z)-2-(1H-imidazol-5-ylmethylidene)-3-methyl-4-phenyl-4-piperazin-1-yl-3-pyridin-2-ylbutanoic acid Traditional Name: (Z)-3-(1H-imidazol-5-yl)-2-[1-methyl-2-phenyl-2-piperazino-1-(2-pyridyl)ethyl]acrylic acid Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)(C(C2=CC=CC=C2)N3CCNCC3)C(=CC4=CN=CN4)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=N1)(C(C2=CC=CC=C2)N3CCNCC3)/C(=C/C4=CN=CN4)/C(=O)O

InChI

InChI=1S/C24H27N5O2/c1-24(21-9-5-6-10-27-21,20(23(30)31)15-19-16-26-17-28-19)22(18-7-3-2-4-8-18)29-13-11-25-12-14-29/h2-10,15-17,22,25H,11-14H2,1H3,(H,26,28)(H,30,31)/b20-15+