2-[[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-pyridin-4-ylcarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-pyridin-4-ylcarbonyl-amino]ethanoic acid Openeye Name: 2-[4-[(4-piperazin-1-ylbenzoyl)amino]-N-(pyridine-4-carbonyl)anilino]acetic acid CAS Name: 2-[4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]-N-[oxo(pyridin-4-yl)methyl]anilino]acetic acid IUPAC Name: 2-[4-[(4-piperazin-1-ylbenzoyl)amino]-N-(pyridine-4-carbonyl)anilino]acetic acid Traditional Name: 2-[N-isonicotinoyl-4-[(4-piperazinobenzoyl)amino]anilino]acetic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H25N5O4/c31-23(32)17-30(25(34)19-9-11-26-12-10-19)22-7-3-20(4-8-22)28-24(33)18-1-5-21(6-2-18)29-15-13-27-14-16-29/h1-12,27H,13-17H2,(H,28,33)(H,31,32)