[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-(3,5-dimethoxyphenyl)methanone Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C23H31N5O3/c1-30-19-15-18(16-20(17-19)31-2)23(29)28-13-11-27(12-14-28)22-8-7-21(24-25-22)26-9-5-3-4-6-10-26/h7-8,15-17H,3-6,9-14H2,1-2H3