4-[6-(4-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[6-(4-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[6-(p-tolyl)-2-pyrrolidin-1-yl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[6-(4-methylphenyl)-2-(1-pyrrolidinyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[6-(4-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-(p-tolyl)-2-pyrrolidino-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCCC4

InChI

InChI=1S/C21H21N3O/c1-15-4-6-16(7-5-15)19-14-20(17-8-10-18(25)11-9-17)23-21(22-19)24-12-2-3-13-24/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)