N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-chloranyl-pyridine-3-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-chloro-pyridine-3-carboxamide CAS Name: 2-chloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chloropyridine-3-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-chloro-nicotinamide Formula: C20H22Cl2N4O2 MolecularWeight: 421.32028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4O2/c1-2-4-18(27)26-11-9-25(10-12-26)17-7-6-14(13-16(17)21)24-20(28)15-5-3-8-23-19(15)22/h3,5-8,13H,2,4,9-12H2,1H3,(H,24,28)