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

Systemtic Name: 1-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[[2-(3-chloro-2-methylanilino)pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazino]-2-phenyl-ethanone Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O/c1-19-22(26)10-5-11-23(19)28-25-21(9-6-12-27-25)18-29-13-15-30(16-14-29)24(31)17-20-7-3-2-4-8-20/h2-12H,13-18H2,1H3,(H,27,28)