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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-piperonyl-pyrrolidine-2-carboxamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O3/c29-22(25-14-16-8-9-19-20(13-16)31-15-30-19)18-7-4-12-28(18)23-24-11-10-21(27-23)26-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,18H,4,7,12,14-15H2,(H,25,29)(H,24,26,27)/t18-/m0/s1