4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 4-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 4-methyl-N-[(1S)-2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 4-methyl-N-[(1S)-2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O2/c1-15(2)18(24-19(27)17-7-5-16(3)6-8-17)20(28)25-11-13-26(14-12-25)21-22-9-4-10-23-21/h4-10,15,18H,11-14H2,1-3H3,(H,24,27)/t18-/m0/s1