[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[6-(1-azepanyl)-3-pyridazinyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[6-(azepan-1-yl)pyridazin-3-yl]piperazino]-(o-tolyl)methanone Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H29N5O/c1-18-8-4-5-9-19(18)22(28)27-16-14-26(15-17-27)21-11-10-20(23-24-21)25-12-6-2-3-7-13-25/h4-5,8-11H,2-3,6-7,12-17H2,1H3