methyl 2-[[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]carbamoyl]benzoate Openeye Name: methyl 2-[[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]carbamoyl]benzoate CAS Name: 2-[[3-[6-(1-azepanyl)-3-pyridazinyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]carbamoyl]benzoate Traditional Name: 2-[[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]carbamoyl]benzoic acid methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H26N4O3/c1-32-25(31)21-12-5-4-11-20(21)24(30)26-19-10-8-9-18(17-19)22-13-14-23(28-27-22)29-15-6-2-3-7-16-29/h4-5,8-14,17H,2-3,6-7,15-16H2,1H3,(H,26,30)