(4Z)-4-(2,6-dipyridin-2-yl-1H-pyrimidin-4-ylidene)-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-(2,6-dipyridin-2-yl-1H-pyrimidin-4-ylidene)-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[2,6-bis(2-pyridyl)-1H-pyrimidin-4-ylidene]-2-hexoxy-3-piperazin-1-yl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[2,6-bis(2-pyridinyl)-1H-pyrimidin-4-ylidene]-2-hexoxy-3-(1-piperazinyl)-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-(2,6-dipyridin-2-yl-1H-pyrimidin-4-ylidene)-2-hexoxy-3-piperazin-1-ylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[2,6-bis(2-pyridyl)-1H-pyrimidin-4-ylidene]-2-hexoxy-3-piperazino-cyclohexa-2,5-dien-1-one Formula: C30H34N6O2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C2C=C(NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4)C=CC1=O)N5CCNCC5

Isomeric SMILES

CCCCCCOC1=C(/C(=C\2/C=C(NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4)/C=CC1=O)N5CCNCC5

InChI

InChI=1S/C30H34N6O2/c1-2-3-4-9-20-38-29-27(37)13-12-22(28(29)36-18-16-31-17-19-36)25-21-26(23-10-5-7-14-32-23)35-30(34-25)24-11-6-8-15-33-24/h5-8,10-15,21,31H,2-4,9,16-20H2,1H3,(H,34,35)/b25-22-