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

Systemtic Name: 6-chloranyl-3-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]propyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[3-keto-3-[4-(4-pyridylmethyl)piperazino]propyl]-1,3-benzoxazol-2-one Formula: C20H21ClN4O3 MolecularWeight: 400.85874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c21-16-1-2-17-18(13-16)28-20(27)25(17)8-5-19(26)24-11-9-23(10-12-24)14-15-3-6-22-7-4-15/h1-4,6-7,13H,5,8-12,14H2