3-[3-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-(5-chloro-2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propoxy]benzonitrile Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)C#N)C3=C4C(=CC(=C3)Cl)NC(=O)O4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)C#N)C3=C4C(=CC(=C3)Cl)NC(=O)O4

InChI

InChI=1S/C21H21ClN4O3/c22-16-12-18-20(29-21(27)24-18)19(13-16)26-8-6-25(7-9-26)5-2-10-28-17-4-1-3-15(11-17)14-23/h1,3-4,11-13H,2,5-10H2,(H,24,27)