[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromanyl-2-chloranyl-phenyl)methanone

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromanyl-2-chloranyl-phenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromo-2-chloro-phenyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(5-bromo-2-chlorophenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromo-2-chlorophenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-(5-bromo-2-chloro-phenyl)methanone Formula: C21H25BrClN5O MolecularWeight: 478.8131

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H25BrClN5O/c22-16-5-6-18(23)17(15-16)21(29)28-13-11-27(12-14-28)20-8-7-19(24-25-20)26-9-3-1-2-4-10-26/h5-8,15H,1-4,9-14H2