N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-furan-2-carboxamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromofuran-2-carboxamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-2-furamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C21H21BrN4O2/c22-19-11-10-18(28-19)21(27)23-16-7-5-15(6-8-16)17-9-12-20(25-24-17)26-13-3-1-2-4-14-26/h5-12H,1-4,13-14H2,(H,23,27)