ethyl 4-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)piperazine-1-carboxylate CAS Name: 4-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-2-26-18(25)22-10-8-21(9-11-22)15-12-20-23(17(24)16(15)19)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3