3-methoxy-4-[4-oxidanylidene-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(2,3,4-trimethoxybenzyl)piperazino]butoxy]-3-methoxy-benzonitrile Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC)OC)OC

InChI

InChI=1S/C26H33N3O6/c1-31-22-10-8-20(25(33-3)26(22)34-4)18-28-11-13-29(14-12-28)24(30)6-5-15-35-21-9-7-19(17-27)16-23(21)32-2/h7-10,16H,5-6,11-15,18H2,1-4H3