[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(3-chloro-4-isobutoxy-5-methoxy-phenyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-(3-chloro-4-isobutoxy-5-methoxy-phenyl)methanone Formula: C21H25BrClN3O3 MolecularWeight: 482.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)OC

InChI

InChI=1S/C21H25BrClN3O3/c1-14(2)13-29-20-17(23)10-15(11-18(20)28-3)21(27)26-8-6-25(7-9-26)19-5-4-16(22)12-24-19/h4-5,10-12,14H,6-9,13H2,1-3H3