5-bromanyl-N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-furanyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[5-(1,4-diazepane-1-carbonyl)furan-2-yl]phenyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]nicotinamide Formula: C22H21BrN4O3 MolecularWeight: 469.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H21BrN4O3/c23-17-12-16(13-25-14-17)21(28)26-18-4-2-15(3-5-18)19-6-7-20(30-19)22(29)27-10-1-8-24-9-11-27/h2-7,12-14,24H,1,8-11H2,(H,26,28)