1-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[[2-(3-chloro-2-methylanilino)pyridin-3-yl]methyl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazino]-2-ethyl-hexan-1-one Formula: C25H35ClN4O MolecularWeight: 443.0246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)CC2=C(N=CC=C2)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)CC2=C(N=CC=C2)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C25H35ClN4O/c1-4-6-9-20(5-2)25(31)30-16-14-29(15-17-30)18-21-10-8-13-27-24(21)28-23-12-7-11-22(26)19(23)3/h7-8,10-13,20H,4-6,9,14-18H2,1-3H3,(H,27,28)