6-(3-bromophenyl)-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 6-(3-bromophenyl)-2-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 6-(3-bromophenyl)-2-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 6-(3-bromophenyl)-2-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 6-(3-bromophenyl)-2-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 6-(3-bromophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]-2-methyl-nicotinamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H20BrN5O2/c1-14-18(6-7-19(26-14)15-3-2-4-16(23)11-15)22(30)27-17-5-8-20(25-12-17)28-10-9-24-21(29)13-28/h2-8,11-12H,9-10,13H2,1H3,(H,24,29)(H,27,30)