5-methyl-6-(3-methylphenyl)carbonyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-methyl-6-(3-methylphenyl)carbonyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-methyl-6-(3-methylbenzoyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 5-methyl-6-[(3-methylphenyl)-oxomethyl]-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-methyl-6-(3-methylbenzoyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-methyl-6-m-toluoyl-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2C)N(C(=O)O3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC3=C(C=C2C)N(C(=O)O3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5O3/c1-17-5-3-6-19(13-17)23(31)20-15-22-21(14-18(20)2)30(25(32)33-22)16-28-9-11-29(12-10-28)24-26-7-4-8-27-24/h3-8,13-15H,9-12,16H2,1-2H3