7-(5-chloranylpyridin-3-yl)oxy-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile

Systemtic Name: 7-(5-chloranylpyridin-3-yl)oxy-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-yl-heptanenitrile Openeye Name: 7-[(5-chloro-3-pyridyl)oxy]-2-isopropyl-6-piperazin-1-yl-2-(2-thienyl)heptanenitrile CAS Name: 7-[(5-chloro-3-pyridinyl)oxy]-6-(1-piperazinyl)-2-propan-2-yl-2-thiophen-2-ylheptanenitrile IUPAC Name: 7-(5-chloropyridin-3-yl)oxy-6-piperazin-1-yl-2-propan-2-yl-2-thiophen-2-ylheptanenitrile Traditional Name: 7-[(5-chloro-3-pyridyl)oxy]-2-isopropyl-6-piperazino-2-(2-thienyl)enanthonitrile Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC(=CN=C1)Cl)N2CCNCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC(=CN=C1)Cl)N2CCNCC2)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H31ClN4OS/c1-18(2)23(17-25,22-6-4-12-30-22)7-3-5-20(28-10-8-26-9-11-28)16-29-21-13-19(24)14-27-15-21/h4,6,12-15,18,20,26H,3,5,7-11,16H2,1-2H3