2-[(E)-[3-(4-phenylpiperazin-1-yl)propanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[3-(4-phenylpiperazin-1-yl)propanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[3-(4-phenylpiperazin-1-yl)propanoylhydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[3-(4-phenylpiperazin-1-yl)propanoylhydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[3-(4-phenylpiperazino)propanoylhydrazono]methyl]benzoic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)N/N=C/C2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c26-20(23-22-16-17-6-4-5-9-19(17)21(27)28)10-11-24-12-14-25(15-13-24)18-7-2-1-3-8-18/h1-9,16H,10-15H2,(H,23,26)(H,27,28)/b22-16+