3-[1-[3-chloranyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

Systemtic Name: 3-[1-[3-chloranyl-5-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Openeye Name: 3-[1-[3-chloro-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one CAS Name: 3-[1-[3-chloro-5-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one IUPAC Name: 3-[1-[3-chloro-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one Traditional Name: 3-[1-(3-chloro-5-p-toluoyl-1H-pyrrol-2-yl)ethyl]-1H-pyridazin-6-one Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=C(N2)C(C)C3=NNC(=O)C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(N2)C(C)C3=NNC(=O)C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2/c1-10-3-5-12(6-4-10)18(24)15-9-13(19)17(20-15)11(2)14-7-8-16(23)22-21-14/h3-9,11,20H,1-2H3,(H,22,23)