N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3,3-dimethylbutan-2-yl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-[(1S)-1,2,2-trimethylpropyl]piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-[(1S)-1,2,2-trimethylpropyl]isonipecotamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(C)(C)C)NC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O/c1-16(22(2,3)4)24-20(28)17-11-14-27(15-12-17)21-23-13-10-19(26-21)25-18-8-6-5-7-9-18/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,24,28)(H,23,25,26)/t16-/m0/s1