4-[[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O2/c1-18(2)22-9-4-19(3)14-23(22)29-17-24(28)27-12-10-26(11-13-27)16-21-7-5-20(15-25)6-8-21/h4-9,14,18H,10-13,16-17H2,1-3H3