(2S)-N-[(2-chlorophenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2-chlorophenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[(2-chlorophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(2-chlorobenzyl)pyrrolidine-2-carboxamide Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN5O/c23-18-10-5-4-7-16(18)15-25-21(29)19-11-6-14-28(19)22-24-13-12-20(27-22)26-17-8-2-1-3-9-17/h1-5,7-10,12-13,19H,6,11,14-15H2,(H,25,29)(H,24,26,27)/t19-/m0/s1