methyl 4-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 4-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 4-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate CAS Name: 4-amino-2-[[oxo(2-pyridinyl)methyl]-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate Traditional Name: 4-amino-2-[2-(4-phenylpiperazino)ethyl-picolinoyl-amino]benzoic acid methyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H29N5O3/c1-34-26(33)22-11-10-20(27)19-24(22)31(25(32)23-9-5-6-12-28-23)18-15-29-13-16-30(17-14-29)21-7-3-2-4-8-21/h2-12,19H,13-18,27H2,1H3