3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3-methylbenzyl)piperazino]propan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=C(N4C(=NC=N4)N=C3C)C

InChI

InChI=1S/C22H28N6O/c1-16-5-4-6-19(13-16)14-26-9-11-27(12-10-26)21(29)8-7-20-17(2)25-22-23-15-24-28(22)18(20)3/h4-6,13,15H,7-12,14H2,1-3H3