N-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]-2-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]-2-chloranyl-pyridine-3-carboxamide Openeye Name: N-[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-chloro-pyridine-3-carboxamide CAS Name: N-[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]phenyl]-2-chloro-3-pyridinecarboxamide IUPAC Name: N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-chloropyridine-3-carboxamide Traditional Name: N-[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]-2-chloro-nicotinamide Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H21ClN4O3/c26-23-20(5-3-11-27-23)24(31)28-18-7-9-19(10-8-18)29-12-14-30(15-13-29)25(32)22-16-17-4-1-2-6-21(17)33-22/h1-11,16H,12-15H2,(H,28,31)