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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-18-7-6-8-19(17-18)22(28)27-15-13-26(14-16-27)21-10-9-20(23-24-21)25-11-4-2-3-5-12-25/h6-10,17H,2-5,11-16H2,1H3