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

Systemtic Name: 5-bromanyl-N-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-[(4-benzylpiperazino)methyl]phenyl]-5-bromo-nicotinamide Formula: C24H25BrN4O MolecularWeight: 465.3855

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C24H25BrN4O/c25-22-14-21(15-26-16-22)24(30)27-23-8-6-20(7-9-23)18-29-12-10-28(11-13-29)17-19-4-2-1-3-5-19/h1-9,14-16H,10-13,17-18H2,(H,27,30)