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

Systemtic Name: 5-methyl-6-(3-methylphenyl)carbonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-methyl-6-(3-methylbenzoyl)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 5-methyl-6-[(3-methylphenyl)-oxomethyl]-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-methyl-6-(3-methylbenzoyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-methyl-6-m-toluoyl-3-[[4-(2-pyridyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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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=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-18-6-5-7-20(14-18)25(31)21-16-23-22(15-19(21)2)30(26(32)33-23)17-28-10-12-29(13-11-28)24-8-3-4-9-27-24/h3-9,14-16H,10-13,17H2,1-2H3