[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-methyl-4,5,6,7-tetrahydroindoxazen-3-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H21N5O2/c1-12-3-4-14-13(11-12)15(20-24-14)16(23)21-7-9-22(10-8-21)17-18-5-2-6-19-17/h2,5-6,12H,3-4,7-11H2,1H3/t12-/m0/s1