4-[1-azanyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl]-N-(4-pyridyl)benzamide Formula: C25H26FN5O2 MolecularWeight: 447.504643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C(C3=CC=C(C=C3)C(=O)NC4=CC=NC=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)C(C3=CC=C(C=C3)C(=O)NC4=CC=NC=C4)N

InChI

InChI=1S/C25H26FN5O2/c26-22-4-2-1-3-20(22)17-30-13-15-31(16-14-30)25(33)23(27)18-5-7-19(8-6-18)24(32)29-21-9-11-28-12-10-21/h1-12,23H,13-17,27H2,(H,28,29,32)