N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-piperonyl-isonipecotamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O3/c30-23(26-15-17-6-7-20-21(14-17)32-16-31-20)18-9-12-29(13-10-18)24-25-11-8-22(28-24)27-19-4-2-1-3-5-19/h1-8,11,14,18H,9-10,12-13,15-16H2,(H,26,30)(H,25,27,28)