3-[[5-[(4-chlorophenyl)methyl]-1,4-dimethyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[5-[(4-chlorophenyl)methyl]-1,4-dimethyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[5-[(4-chlorophenyl)methyl]-1,4-dimethyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[5-[(4-chlorophenyl)methyl]-1,4-dimethyl-2-pyrrolyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[5-[(4-chlorophenyl)methyl]-1,4-dimethylpyrrol-2-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[[5-(4-chlorobenzyl)-1,4-dimethyl-pyrrol-2-yl]methyl]-1H-pyridazin-6-one Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)CC2=NNC(=O)C=C2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(N(C(=C1)CC2=NNC(=O)C=C2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O/c1-12-9-16(11-15-7-8-18(23)21-20-15)22(2)17(12)10-13-3-5-14(19)6-4-13/h3-9H,10-11H2,1-2H3,(H,21,23)