5-bromanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-5-bromo-nicotinamide Formula: C23H23BrN4O MolecularWeight: 451.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C23H23BrN4O/c24-20-14-19(15-25-16-20)23(29)26-21-6-8-22(9-7-21)28-12-10-27(11-13-28)17-18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2,(H,26,29)