methyl 4-[[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]carbamoyl]benzoate CAS Name: 4-[oxo-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[3-(6-pyrrolidinopyridazin-3-yl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H22N4O3/c1-30-23(29)17-9-7-16(8-10-17)22(28)24-19-6-4-5-18(15-19)20-11-12-21(26-25-20)27-13-2-3-14-27/h4-12,15H,2-3,13-14H2,1H3,(H,24,28)