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

Systemtic Name: 1-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[[2-(3-chloro-2-methylanilino)pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazino]-2-phenyl-butan-1-one Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=C(N=CC=C3)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=C(N=CC=C3)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C27H31ClN4O/c1-3-23(21-9-5-4-6-10-21)27(33)32-17-15-31(16-18-32)19-22-11-8-14-29-26(22)30-25-13-7-12-24(28)20(25)2/h4-14,23H,3,15-19H2,1-2H3,(H,29,30)