azepan-1-yl-[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone CAS Name: 1-azepanyl-[4-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]amino]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone Traditional Name: azepan-1-yl-[4-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)NC3=CC=C(C=C3)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)NC3=CC=C(C=C3)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H28N4O3/c1-31-22-13-9-19(17-23(22)32-2)21-12-14-24(28-27-21)26-20-10-7-18(8-11-20)25(30)29-15-5-3-4-6-16-29/h7-14,17H,3-6,15-16H2,1-2H3,(H,26,28)