ethyl 4-[2-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxo-pyridazin-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[(3,4-dimethylanilino)-oxomethyl]-6-oxo-1-pyridazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-[(3,4-dimethylphenyl)carbamoyl]-6-keto-pyridazin-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H27N5O5/c1-4-32-22(31)26-11-9-25(10-12-26)20(29)14-27-19(28)8-7-18(24-27)21(30)23-17-6-5-15(2)16(3)13-17/h5-8,13H,4,9-12,14H2,1-3H3,(H,23,30)