4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butanenitrile Openeye Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-(2,3,4-trimethoxybenzyl)piperazino]butyronitrile Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCC#N)OC)OC

InChI

InChI=1S/C18H27N3O3/c1-22-16-7-6-15(17(23-2)18(16)24-3)14-21-12-10-20(11-13-21)9-5-4-8-19/h6-7H,4-5,9-14H2,1-3H3