2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-[4-(1-piperidyl)phenyl]pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-[4-(1-piperidinyl)phenyl]-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(4-piperidinophenyl)pyridazin-3-one Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H30N4O2/c28-22-13-12-21(19-8-10-20(11-9-19)25-14-6-3-7-15-25)24-27(22)18-23(29)26-16-4-1-2-5-17-26/h8-13H,1-7,14-18H2