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

Systemtic Name: 1-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[4-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methyl]-1-piperazinyl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[4-[[2-(3-chloro-2-methylanilino)pyridin-3-yl]methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazino]-3-cyclopentyl-propan-1-one Formula: C25H33ClN4O MolecularWeight: 441.00872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)CCC4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)CCC4CCCC4

InChI

InChI=1S/C25H33ClN4O/c1-19-22(26)9-4-10-23(19)28-25-21(8-5-13-27-25)18-29-14-16-30(17-15-29)24(31)12-11-20-6-2-3-7-20/h4-5,8-10,13,20H,2-3,6-7,11-12,14-18H2,1H3,(H,27,28)