N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-5-bromo-nicotinamide Formula: C18H21BrN4O MolecularWeight: 389.28954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H21BrN4O/c19-16-9-15(12-20-13-16)18(24)22-11-14-5-6-17(21-10-14)23-7-3-1-2-4-8-23/h5-6,9-10,12-13H,1-4,7-8,11H2,(H,22,24)