2-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-piperidin-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-5-piperidin-1-yl-pyridazin-3-one Openeye Name: 2-[2-[4-(o-tolyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]-5-(1-piperidyl)pyridazin-3-one CAS Name: 2-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-5-(1-piperidinyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one Traditional Name: 2-[2-keto-2-[4-(o-tolyl)-1,4-diazepan-1-yl]ethyl]-5-piperidino-pyridazin-3-one Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN(CC2)C(=O)CN3C(=O)C=C(C=N3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCCN(CC2)C(=O)CN3C(=O)C=C(C=N3)N4CCCCC4

InChI

InChI=1S/C23H31N5O2/c1-19-8-3-4-9-21(19)26-12-7-13-27(15-14-26)23(30)18-28-22(29)16-20(17-24-28)25-10-5-2-6-11-25/h3-4,8-9,16-17H,2,5-7,10-15,18H2,1H3