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

Systemtic Name: propan-2-yl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C29H33F2N3O2 MolecularWeight: 493.588026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H33F2N3O2/c1-21(2)36-29(35)27-5-3-15-32-28(27)34-19-17-33(18-20-34)16-4-6-26(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h3,5,7-15,21,26H,4,6,16-20H2,1-2H3