(4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-[(3,3-diphenylpropylamino)methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNCC2=CC(=C3NC=CC=N3)C=CC2=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNCC2=C/C(=C/3\NC=CC=N3)/C=CC2=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O/c30-25-13-12-22(26-28-15-7-16-29-26)18-23(25)19-27-17-14-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,15-16,18,24,27-28H,14,17,19H2/b26-22+