N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[3-(3-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]-piperonylamide Formula: C26H22N4O4 MolecularWeight: 454.47728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H22N4O4/c27-15-18-3-1-4-19(13-18)16-29-11-2-12-30(26(29)32)22-8-6-21(7-9-22)28-25(31)20-5-10-23-24(14-20)34-17-33-23/h1,3-10,13-14H,2,11-12,16-17H2,(H,28,31)