piperazin-1-yl 2-[4-(8-bromanyloctoxy)phenyl]pyridine-3-carboxylate

Systemtic Name: piperazin-1-yl 2-[4-(8-bromanyloctoxy)phenyl]pyridine-3-carboxylate Openeye Name: piperazin-1-yl 2-[4-(8-bromooctoxy)phenyl]pyridine-3-carboxylate CAS Name: 2-[4-(8-bromooctoxy)phenyl]-3-pyridinecarboxylic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 2-[4-(8-bromooctoxy)phenyl]pyridine-3-carboxylate Traditional Name: 2-[4-(8-bromooctoxy)phenyl]nicotinic acid piperazino ester Formula: C24H32BrN3O3 MolecularWeight: 490.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)OC(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)OCCCCCCCCBr

Isomeric SMILES

C1CN(CCN1)OC(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)OCCCCCCCCBr

InChI

InChI=1S/C24H32BrN3O3/c25-13-5-3-1-2-4-6-19-30-21-11-9-20(10-12-21)23-22(8-7-14-27-23)24(29)31-28-17-15-26-16-18-28/h7-12,14,26H,1-6,13,15-19H2