3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-3-(5-ethylpyridin-2-yl)propanoic acid

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-3-(5-ethylpyridin-2-yl)propanoic acid Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-3-(5-ethyl-2-pyridyl)propanoic acid CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-3-(5-ethyl-2-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-3-(5-ethylpyridin-2-yl)propanoic acid Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-3-(5-ethyl-2-pyridyl)propionic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(CC(=O)O)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CN=C(C=C1)C(CC(=O)O)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N5O4/c1-2-16-5-8-19(25-13-16)20(11-23(31)32)26-21(29)14-28-10-9-27(15-22(28)30)18-6-3-17(12-24)4-7-18/h3-8,13,20H,2,9-11,14-15H2,1H3,(H,26,29)(H,31,32)