methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-(6-chloranylpyridazin-3-yl)piperidin-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-(6-chloro-3-pyridazinyl)-3-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(6-chloropyridazin-3-yl)nipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O3/c1-12-5-6-13(19(26)27-2)10-15(12)21-18(25)14-4-3-9-24(11-14)17-8-7-16(20)22-23-17/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,21,25)