6-[4-[[(3S)-4-cyclohexyl-3-methyl-piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one

Systemtic Name: 6-[4-[[(3S)-4-cyclohexyl-3-methyl-piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one Openeye Name: 6-[4-[[(3S)-4-cyclohexyl-3-methyl-piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one CAS Name: 6-[4-[[(3S)-4-cyclohexyl-3-methyl-1-piperazinyl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one IUPAC Name: 6-[4-[[(3S)-4-cyclohexyl-3-methylpiperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one Traditional Name: 6-[4-[[(3S)-4-cyclohexyl-3-methyl-piperazino]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2CCCCC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OC(=O)NC5

Isomeric SMILES

C[C@H]1CN(CCN1C2CCCCC2)CC3=C(NN=C3)C4=CC5=C(C=C4)OC(=O)NC5

InChI

InChI=1S/C23H31N5O2/c1-16-14-27(9-10-28(16)20-5-3-2-4-6-20)15-19-13-25-26-22(19)17-7-8-21-18(11-17)12-24-23(29)30-21/h7-8,11,13,16,20H,2-6,9-10,12,14-15H2,1H3,(H,24,29)(H,25,26)/t16-/m0/s1