phenethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: phenethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: phenethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazino]nicotinic acid phenethyl ester Formula: C34H35F2N3O2 MolecularWeight: 555.657406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=C(C=CC=N4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C34H35F2N3O2/c35-29-14-10-27(11-15-29)31(28-12-16-30(36)17-13-28)9-5-20-38-21-23-39(24-22-38)33-32(8-4-19-37-33)34(40)41-25-18-26-6-2-1-3-7-26/h1-4,6-8,10-17,19,31H,5,9,18,20-25H2