1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone

Systemtic Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone Openeye Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone CAS Name: 1-[4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-2-(4-chlorophenyl)ethanone IUPAC Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone Traditional Name: 1-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-2-(4-chlorophenyl)ethanone Formula: C22H28ClN5O MolecularWeight: 413.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H28ClN5O/c23-19-7-5-18(6-8-19)17-22(29)28-15-13-27(14-16-28)21-10-9-20(24-25-21)26-11-3-1-2-4-12-26/h5-10H,1-4,11-17H2