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

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-(3,4-dimethylphenyl)methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C23H31N5O/c1-18-7-8-20(17-19(18)2)23(29)28-15-13-27(14-16-28)22-10-9-21(24-25-22)26-11-5-3-4-6-12-26/h7-10,17H,3-6,11-16H2,1-2H3