N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O/c1-4-18-6-8-19(9-7-18)21(17(2)3)25-20(28)16-26-12-14-27(15-13-26)22-23-10-5-11-24-22/h5-11,17,21H,4,12-16H2,1-3H3,(H,25,28)/t21-/m0/s1