3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NNC(=O)C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NNC(=O)C=C3

InChI

InChI=1S/C17H25N5O3/c23-15-6-5-14(18-19-15)17(25)22-11-9-20(10-12-22)13-16(24)21-7-3-1-2-4-8-21/h5-6H,1-4,7-13H2,(H,19,23)