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

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[3-chloranyl-5-methoxy-4-(3-methylbutoxy)phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-chloro-4-isopentyloxy-5-methoxy-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(3-chloro-4-isoamoxy-5-methoxy-phenyl)methanone Formula: C21H26BrClN4O3 MolecularWeight: 497.81314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

InChI

InChI=1S/C21H26BrClN4O3/c1-14(2)4-9-30-19-17(23)10-15(11-18(19)29-3)20(28)26-5-7-27(8-6-26)21-24-12-16(22)13-25-21/h10-14H,4-9H2,1-3H3