4-[(dibutylamino)methyl]-2-(4-methylphenyl)carbonyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-one

Systemtic Name: 4-[(dibutylamino)methyl]-2-(4-methylphenyl)carbonyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-one Openeye Name: 4-[(dibutylamino)methyl]-2-(4-methylbenzoyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-one CAS Name: 4-[(dibutylamino)methyl]-2-[(4-methylphenyl)-oxomethyl]-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-3-pyrazolidinone IUPAC Name: 4-[(dibutylamino)methyl]-2-(4-methylbenzoyl)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidin-3-one Traditional Name: 4-[(dibutylamino)methyl]-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-2-p-toluoyl-pyrazolidin-3-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1C(=C2C=CC=CC2=O)NN(C1=O)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(CCCC)CC1C(=C2C=CC=CC2=O)NN(C1=O)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H33N3O3/c1-4-6-16-28(17-7-5-2)18-22-24(21-10-8-9-11-23(21)30)27-29(26(22)32)25(31)20-14-12-19(3)13-15-20/h8-15,22,27H,4-7,16-18H2,1-3H3