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

Systemtic Name: 3-methylbutyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C31H37F2N3O2 MolecularWeight: 521.641186

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H37F2N3O2/c1-23(2)15-22-38-31(37)29-5-3-16-34-30(29)36-20-18-35(19-21-36)17-4-6-28(24-7-11-26(32)12-8-24)25-9-13-27(33)14-10-25/h3,5,7-14,16,23,28H,4,6,15,17-22H2,1-2H3