butyl (E)-3-[(4E)-4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-1,5-dien-1-yl]prop-2-enoate

Systemtic Name: butyl (E)-3-[(4E)-4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-1,5-dien-1-yl]prop-2-enoate Openeye Name: butyl (E)-3-[(4E)-4-[[4-(4-pyridyl)piperazin-1-yl]methylene]cyclohexa-1,5-dien-1-yl]prop-2-enoate CAS Name: (E)-3-[(4E)-4-[(4-pyridin-4-yl-1-piperazinyl)methylidene]-1-cyclohexa-1,5-dienyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[(4E)-4-[(4-pyridin-4-ylpiperazin-1-yl)methylidene]cyclohexa-1,5-dien-1-yl]prop-2-enoate Traditional Name: (E)-3-[(4E)-4-[[4-(4-pyridyl)piperazino]methylene]cyclohexa-1,5-dien-1-yl]acrylic acid butyl ester Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=CCC(=CN2CCN(CC2)C3=CC=NC=C3)C=C1

Isomeric SMILES

CCCCOC(=O)/C=C/C1=CC/C(=C\N2CCN(CC2)C3=CC=NC=C3)/C=C1

InChI

InChI=1S/C23H29N3O2/c1-2-3-18-28-23(27)9-8-20-4-6-21(7-5-20)19-25-14-16-26(17-15-25)22-10-12-24-13-11-22/h4-6,8-13,19H,2-3,7,14-18H2,1H3/b9-8+,21-19-