[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-ethoxyphenyl)methanone

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-ethoxyphenyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(4-ethoxyphenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-p-phenetyl-methanone Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H31N5O2/c1-2-30-20-9-7-19(8-10-20)23(29)28-17-15-27(16-18-28)22-12-11-21(24-25-22)26-13-5-3-4-6-14-26/h7-12H,2-6,13-18H2,1H3