1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazine hydrochloride

Systemtic Name: 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazine hydrochloride Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]-4-(2-methoxyphenyl)piperazine hydrochloride CAS Name: 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine hydrochloride IUPAC Name: 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine hydrochloride Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]-4-(2-methoxyphenyl)piperazine hydrochloride Formula: C25H33ClN2O2 MolecularWeight: 428.99472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCN(CC2)C3=CC=CC=C3OC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCN(CC2)C3=CC=CC=C3OC.Cl

InChI

InChI=1S/C25H32N2O2.ClH/c1-20(2)22-12-11-21(3)19-25(22)29-18-8-7-13-26-14-16-27(17-15-26)23-9-5-6-10-24(23)28-4;/h5-6,9-12,19-20H,13-18H2,1-4H3;1H