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

Systemtic Name: 6-(4-bromophenyl)carbonyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 6-(4-bromobenzoyl)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-[(4-bromophenyl)-oxomethyl]-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(4-bromobenzoyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 6-(4-bromobenzoyl)-3-[[4-(2-pyridyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C24H21BrN4O3 MolecularWeight: 493.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Br)OC2=O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Br)OC2=O)C5=CC=CC=N5

InChI

InChI=1S/C24H21BrN4O3/c25-19-7-4-17(5-8-19)23(30)18-6-9-20-21(15-18)32-24(31)29(20)16-27-11-13-28(14-12-27)22-3-1-2-10-26-22/h1-10,15H,11-14,16H2