3-[[5-chloranyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]amino]propyl pyridine-3-carboxylate

Systemtic Name: 3-[[5-chloranyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]amino]propyl pyridine-3-carboxylate Openeye Name: 3-[[5-chloro-2-[(E)-cinnamyl]-3-oxo-pyridazin-4-yl]amino]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 3-[[5-chloro-3-oxo-2-[(E)-3-phenylprop-2-enyl]-4-pyridazinyl]amino]propyl ester IUPAC Name: 3-[[5-chloro-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazin-4-yl]amino]propyl pyridine-3-carboxylate Traditional Name: nicotinic acid 3-[[5-chloro-2-[(E)-cinnamyl]-3-keto-pyridazin-4-yl]amino]propyl ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C(=O)C(=C(C=N2)Cl)NCCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C(=O)C(=C(C=N2)Cl)NCCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H21ClN4O3/c23-19-16-26-27(13-5-9-17-7-2-1-3-8-17)21(28)20(19)25-12-6-14-30-22(29)18-10-4-11-24-15-18/h1-5,7-11,15-16,25H,6,12-14H2/b9-5+