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

Systemtic Name: 2-ethyl-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]-2-ethyl-butan-1-one CAS Name: 2-ethyl-1-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazino]-2-ethyl-butan-1-one Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-3-18(4-2)21(27)26-14-12-25(13-15-26)20-11-10-19(23-24-20)22-16-17-8-6-5-7-9-17/h5-11,18H,3-4,12-16H2,1-2H3,(H,22,23)