6-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-bis(3-cyanophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-bis(3-cyanophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-bis(3-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-bis(3-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-bis(3-cyanophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N,4-bis(3-cyanophenyl)-6-homopiperonyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C28H21N5O4 MolecularWeight: 491.49744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC3=C(C(NC(=O)N3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC3=C(C(NC(=O)N3)C4=CC=CC(=C4)C#N)C(=O)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H21N5O4/c29-14-18-3-1-5-20(11-18)26-25(27(34)31-21-6-2-4-19(12-21)15-30)22(32-28(35)33-26)9-7-17-8-10-23-24(13-17)37-16-36-23/h1-6,8,10-13,26H,7,9,16H2,(H,31,34)(H2,32,33,35)