2-[4-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(4-ethylbenzoyl)piperazino]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C24H29N3O3/c1-2-19-3-7-21(8-4-19)24(29)27-15-13-26(14-16-27)17-22(28)18-30-23-9-5-20(6-10-23)11-12-25/h3-10,22,28H,2,11,13-18H2,1H3