(2S)-N-(4-ethylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-(4-ethylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)pyrrolidine-2-carboxamide Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c1-2-17-10-12-19(13-11-17)26-22(29)20-9-6-16-28(20)23-24-15-14-21(27-23)25-18-7-4-3-5-8-18/h3-5,7-8,10-15,20H,2,6,9,16H2,1H3,(H,26,29)(H,24,25,27)/t20-/m0/s1