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

Systemtic Name: 4-methoxy-3-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-methoxy-3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 4-methoxy-3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-methoxy-3-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propoxy]-4-methoxy-benzonitrile Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)OCCCN2CCN(CC2)C3=CC=CC4=C3OC(=O)N4

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)OCCCN2CCN(CC2)C3=CC=CC4=C3OC(=O)N4

InChI

InChI=1S/C22H24N4O4/c1-28-19-7-6-16(15-23)14-20(19)29-13-3-8-25-9-11-26(12-10-25)18-5-2-4-17-21(18)30-22(27)24-17/h2,4-7,14H,3,8-13H2,1H3,(H,24,27)