1-(azepan-1-yl)-2-[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[1-(6-chloropyridazin-3-yl)nipecotoyl]piperazino]ethanone Formula: C22H33ClN6O2 MolecularWeight: 448.98942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C22H33ClN6O2/c23-19-7-8-20(25-24-19)29-11-5-6-18(16-29)22(31)28-14-12-26(13-15-28)17-21(30)27-9-3-1-2-4-10-27/h7-8,18H,1-6,9-17H2