3-[1-[2-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)ethanoyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-[2-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)ethanoyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-[2-(3-chloro-6-oxo-pyridazin-1-yl)acetyl]-4-piperidyl]-N-(m-tolyl)propanamide CAS Name: 3-[1-[2-(3-chloro-6-oxo-1-pyridazinyl)-1-oxoethyl]-4-piperidinyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-[2-(3-chloro-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-[2-(3-chloro-6-keto-pyridazin-1-yl)acetyl]-4-piperidyl]-N-(m-tolyl)propionamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)CN3C(=O)C=CC(=N3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CCN(CC2)C(=O)CN3C(=O)C=CC(=N3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-15-3-2-4-17(13-15)23-19(27)7-5-16-9-11-25(12-10-16)21(29)14-26-20(28)8-6-18(22)24-26/h2-4,6,8,13,16H,5,7,9-12,14H2,1H3,(H,23,27)