methyl 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-[6-[(2-cyclopropylethylamino)-oxomethyl]-3-pyridazinyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[6-(2-cyclopropylethylcarbamoyl)pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)C(=O)NCCC4CC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)C(=O)NCCC4CC4

InChI

InChI=1S/C23H27N5O4/c1-32-23(31)18-5-3-2-4-17(18)22(30)28-14-12-27(13-15-28)20-9-8-19(25-26-20)21(29)24-11-10-16-6-7-16/h2-5,8-9,16H,6-7,10-15H2,1H3,(H,24,29)