(2S)-N-(3-imidazol-1-ylpropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-imidazol-1-ylpropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-imidazol-1-ylpropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[3-(1-imidazolyl)propyl]-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-imidazol-1-ylpropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-imidazol-1-ylpropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H26N6O2/c1-17-5-2-6-18(15-17)30-20-8-10-25-22(26-20)28-13-3-7-19(28)21(29)24-9-4-12-27-14-11-23-16-27/h2,5-6,8,10-11,14-16,19H,3-4,7,9,12-13H2,1H3,(H,24,29)/t19-/m0/s1