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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]butanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]butanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-2-pyrimidinyl]butanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenylpyrimidin-2-yl]butanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-2-yl]butyramide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-2-6-20(25)24-21-22-16(14-7-4-3-5-8-14)12-17(23-21)15-9-10-18-19(11-15)27-13-26-18/h3-5,7-12H,2,6,13H2,1H3,(H,22,23,24,25)