ethyl 2-[3-[3-[(2-fluorophenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-[3-[(2-fluorophenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-[3-[3-[(2-fluorophenyl)methylamino]-3-oxo-propyl]-1-piperidyl]pyridine-3-carboxylate CAS Name: 2-[3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[3-[3-[(2-fluorobenzyl)amino]-3-keto-propyl]piperidino]nicotinic acid ethyl ester Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)N2CCCC(C2)CCC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C23H28FN3O3/c1-2-30-23(29)19-9-5-13-25-22(19)27-14-6-7-17(16-27)11-12-21(28)26-15-18-8-3-4-10-20(18)24/h3-5,8-10,13,17H,2,6-7,11-12,14-16H2,1H3,(H,26,28)