7-(4-fluoranyl-2-methoxy-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-fluoranyl-2-methoxy-phenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(4-fluoro-2-methoxy-phenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-fluoro-2-methoxyphenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-fluoro-2-methoxyphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(4-fluoro-2-methoxy-phenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)OC)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=C(C=C(C=C1)F)OC)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H36FN3O2/c1-21(2)27(20-29,22-8-5-4-6-9-22)13-7-10-24(31-16-14-30-15-17-31)19-33-25-12-11-23(28)18-26(25)32-3/h4-6,8-9,11-12,18,21,24,30H,7,10,13-17,19H2,1-3H3