1-[2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]pyrimidin-5-yl]carbonylpiperidine-3-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]pyrimidin-5-yl]carbonylpiperidine-3-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide CAS Name: 1-[[2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-5-pyrimidinyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]piperidine-3-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)pyrimidine-5-carbonyl]nipecotamide Formula: C24H22FN5O4 MolecularWeight: 463.460983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C24H22FN5O4/c25-16-4-1-5-17(10-16)28-23-18(24(32)30-8-2-3-15(12-30)21(26)31)11-27-22(29-23)14-6-7-19-20(9-14)34-13-33-19/h1,4-7,9-11,15H,2-3,8,12-13H2,(H2,26,31)(H,27,28,29)