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

Systemtic Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-N-[2-(1-pyrrolyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)NCCN4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)NCCN4C=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-17-6-4-7-18(16-17)29-20-9-10-24-22(25-20)27-14-5-8-19(27)21(28)23-11-15-26-12-2-3-13-26/h2-4,6-7,9-10,12-13,16,19H,5,8,11,14-15H2,1H3,(H,23,28)/t19-/m0/s1