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

Systemtic Name: 5-chloranyl-3-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(4-benzylpiperazino)-4-keto-butyl]-5-chloro-1,3-benzoxazol-2-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C22H24ClN3O3/c23-18-8-9-20-19(15-18)26(22(28)29-20)10-4-7-21(27)25-13-11-24(12-14-25)16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2