methyl 3-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate

Systemtic Name: methyl 3-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Openeye Name: methyl 3-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(2-pyridylmethyl)amino]benzoate CAS Name: 3-amino-2-[2-(4-phenyl-1-piperazinyl)ethyl-(2-pyridinylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Traditional Name: 3-amino-2-[2-(4-phenylpiperazino)ethyl-(2-pyridylmethyl)amino]benzoic acid methyl ester Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C26H31N5O2/c1-33-26(32)23-11-7-12-24(27)25(23)31(20-21-8-5-6-13-28-21)19-16-29-14-17-30(18-15-29)22-9-3-2-4-10-22/h2-13H,14-20,27H2,1H3