2-methoxy-4-propan-2-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-methoxy-4-propan-2-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-2-methoxy-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-methoxy-4-propan-2-yl-7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-methoxy-4-propan-2-yl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-2-methoxy-7-[[4-(2-pyrimidyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N4O2/c1-15(2)16-5-6-17(19(25)18(13-16)26-3)14-23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4-8,13,15H,9-12,14H2,1-3H3