methyl 5-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate

Systemtic Name: methyl 5-azanyl-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Openeye Name: methyl 5-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(2-pyridylmethyl)amino]benzoate CAS Name: 5-amino-2-[2-(4-phenyl-1-piperazinyl)ethyl-(2-pyridinylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridin-2-ylmethyl)amino]benzoate Traditional Name: 5-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)24-19-21(27)10-11-25(24)31(20-22-7-5-6-12-28-22)18-15-29-13-16-30(17-14-29)23-8-3-2-4-9-23/h2-12,19H,13-18,20,27H2,1H3