methyl 2-[5-chloranyl-4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[4-(4-ethylbenzoyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[4-(4-ethylbenzoyl)piperazino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4C(=O)OC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4C(=O)OC)Cl

InChI

InChI=1S/C25H25ClN4O4/c1-3-17-8-10-18(11-9-17)23(31)29-14-12-28(13-15-29)21-16-27-30(24(32)22(21)26)20-7-5-4-6-19(20)25(33)34-2/h4-11,16H,3,12-15H2,1-2H3