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

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O3/c1-4-30-18-8-6-17(7-9-18)20(28)25-19(16(2)3)21(29)26-12-14-27(15-13-26)22-23-10-5-11-24-22/h5-11,16,19H,4,12-15H2,1-3H3,(H,25,28)/t19-/m0/s1