(4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-pyrimidyl)piperazino]methyl]cyclohexa-2,5-dien-1-one Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)CN3CCN(CC3)C4=NC=CC=N4)N1

Isomeric SMILES

COC1=CC=C/C(=C\2/C=CC(=O)C(=C2)CN3CCN(CC3)C4=NC=CC=N4)/N1

InChI

InChI=1S/C21H23N5O2/c1-28-20-5-2-4-18(24-20)16-6-7-19(27)17(14-16)15-25-10-12-26(13-11-25)21-22-8-3-9-23-21/h2-9,14,24H,10-13,15H2,1H3/b18-16+