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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=NC(=C1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=NC(=NC(=C1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

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