methyl 2-[5-chloranyl-4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[4-(2-methyl-2-phenyl-propanoyl)piperazino]pyridazin-1-yl]benzoic acid methyl ester Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O4/c1-26(2,18-9-5-4-6-10-18)25(34)30-15-13-29(14-16-30)21-17-28-31(23(32)22(21)27)20-12-8-7-11-19(20)24(33)35-3/h4-12,17H,13-16H2,1-3H3