3-[3-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxidanylidene-pyridazin-1-yl]propanenitrile

Systemtic Name: 3-[3-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxidanylidene-pyridazin-1-yl]propanenitrile Openeye Name: 3-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxo-pyridazin-1-yl]propanenitrile CAS Name: 3-[3-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxo-1-pyridazinyl]propanenitrile IUPAC Name: 3-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxopyridazin-1-yl]propanenitrile Traditional Name: 3-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-keto-pyridazin-1-yl]propionitrile Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(C)C2=NN(C(=O)C=C2)CCC#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(NC(=C1)C(C)C2=NN(C(=O)C=C2)CCC#N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4O2/c1-13-12-18(24-20(13)21(28)15-4-6-16(22)7-5-15)14(2)17-8-9-19(27)26(25-17)11-3-10-23/h4-9,12,14,24H,3,11H2,1-2H3