5-(4-chlorophenyl)carbonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-(4-chlorophenyl)carbonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-(4-chlorobenzoyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-3-[(4-phenyl-1-piperazinyl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-(4-chlorobenzoyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-(4-chlorobenzoyl)-3-[(4-phenylpiperazino)methyl]-1,3-benzoxazol-2-one Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3/c26-20-9-6-18(7-10-20)24(30)19-8-11-23-22(16-19)29(25(31)32-23)17-27-12-14-28(15-13-27)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2