N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]-2-ethyl-butanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]-2-ethyl-butanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyrimidinyl]-2-ethylbutanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidin-2-yl]-2-ethylbutanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]-2-ethyl-butyramide Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NC(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)NC1=NC(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-3-15(4-2)22(27)26-23-24-18(16-8-6-5-7-9-16)13-19(25-23)17-10-11-20-21(12-17)29-14-28-20/h5-13,15H,3-4,14H2,1-2H3,(H,24,25,26,27)