3-methyl-1-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazino]-3-methyl-butan-1-one Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NN=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NN=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O/c1-16(2)14-20(26)25-12-10-24(11-13-25)19-9-8-18(22-23-19)21-15-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,21,22)