ethyl 4-(3-imidazol-1-ylpropylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[3-(1-imidazolyl)propylamino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-imidazol-1-ylpropylamino)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCCCN2C=CN=C2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCCCN2C=CN=C2)C3=CC=CC=C3C

InChI

InChI=1S/C20H23N5O3/c1-3-28-20(27)19-16(22-9-6-11-24-12-10-21-14-24)13-18(26)25(23-19)17-8-5-4-7-15(17)2/h4-5,7-8,10,12-14,22H,3,6,9,11H2,1-2H3