5-chloranyl-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Openeye Name: 5-chloro-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-1,3-benzoxazol-2-one IUPAC Name: 5-chloro-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Traditional Name: 5-chloro-3-[4-keto-4-(4-phenylpiperazino)butyl]-1,3-benzoxazol-2-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C21H22ClN3O3/c22-16-8-9-19-18(15-16)25(21(27)28-19)10-4-7-20(26)24-13-11-23(12-14-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2