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

Systemtic Name: 2-[3-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxidanylidene-pyridazin-1-yl]ethanenitrile Openeye Name: 2-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxo-pyridazin-1-yl]acetonitrile CAS Name: 2-[3-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxo-1-pyridazinyl]acetonitrile IUPAC Name: 2-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-oxopyridazin-1-yl]acetonitrile Traditional Name: 2-[3-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-6-keto-pyridazin-1-yl]acetonitrile Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2/c1-12-11-17(13(2)16-7-8-18(26)25(24-16)10-9-22)23-19(12)20(27)14-3-5-15(21)6-4-14/h3-8,11,13,23H,10H2,1-2H3