[3-bromanyl-5-ethoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-bromanyl-5-ethoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-5-ethoxy-4-isopentyloxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-bromo-5-ethoxy-4-(3-methylbutoxy)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-bromo-5-ethoxy-4-(3-methylbutoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-5-ethoxy-4-isoamoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H29BrN4O3 MolecularWeight: 477.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCCC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)OCCC(C)C

InChI

InChI=1S/C22H29BrN4O3/c1-4-29-19-15-17(14-18(23)20(19)30-13-6-16(2)3)21(28)26-9-11-27(12-10-26)22-24-7-5-8-25-22/h5,7-8,14-16H,4,6,9-13H2,1-3H3