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

Systemtic Name: 3,3-dimethyl-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]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-21(2,3)15-20(27)26-13-11-25(12-14-26)19-10-9-18(23-24-19)22-16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3,(H,22,23)