2-(3,4-dimethoxyphenyl)-5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-isopropyl-pentanenitrile hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-furoyl)piperazino]-2-isopropyl-valeronitrile hydrochloride Formula: C25H34ClN3O4 MolecularWeight: 476.00816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)C2=CC=CO2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)C2=CC=CO2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C25H33N3O4.ClH/c1-19(2)25(18-26,20-8-9-21(30-3)23(17-20)31-4)10-6-11-27-12-14-28(15-13-27)24(29)22-7-5-16-32-22;/h5,7-9,16-17,19H,6,10-15H2,1-4H3;1H