2-[[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]methyl]-3-phenyl-propanoate

Systemtic Name: 2-[[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]methyl]-3-phenyl-propanoate Openeye Name: 2-benzyl-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 2-[[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]methyl]-3-phenylpropanoate IUPAC Name: 2-benzyl-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 2-benzyl-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]propionate Formula: C23H23N4O4- MolecularWeight: 419.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H24N4O4/c24-13-18-6-8-20(9-7-18)26-10-11-27(22(29)16-26)15-21(28)25-14-19(23(30)31)12-17-4-2-1-3-5-17/h1-9,19H,10-12,14-16H2,(H,25,28)(H,30,31)/p-1