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

Systemtic Name: 6-chloranyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[3-(4-benzylpiperazino)-3-keto-propyl]-6-chloro-1,3-benzoxazol-2-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

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