2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)amino]-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-(1-methyl-4-piperidyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-(1-methyl-4-piperidinyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(3-fluoroanilino)-N-(1-methyl-4-piperidyl)pyrimidine-5-carboxamide Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24FN5O3/c1-30-9-7-17(8-10-30)28-24(31)19-13-26-22(15-5-6-20-21(11-15)33-14-32-20)29-23(19)27-18-4-2-3-16(25)12-18/h2-6,11-13,17H,7-10,14H2,1H3,(H,28,31)(H,26,27,29)