5-[6-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-3-cyano-2-methyl-hexan-3-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[6-[4-[2-(5-chloranylpyridin-3-yl)oxyethyl]piperazin-1-yl]-3-cyano-2-methyl-hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[4-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazin-1-yl]-1-cyano-1-isopropyl-butyl]thiophene-2-carbonitrile CAS Name: 5-[6-[4-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-piperazinyl]-3-cyano-2-methylhexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[6-[4-[2-(5-chloropyridin-3-yl)oxyethyl]piperazin-1-yl]-3-cyano-2-methylhexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[4-[4-[2-[(5-chloro-3-pyridyl)oxy]ethyl]piperazino]-1-cyano-1-isopropyl-butyl]thiophene-2-carbonitrile Formula: C24H30ClN5OS MolecularWeight: 472.0459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=C(S3)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=CN=C2)Cl)(C#N)C3=CC=C(S3)C#N

InChI

InChI=1S/C24H30ClN5OS/c1-19(2)24(18-27,23-5-4-22(15-26)32-23)6-3-7-29-8-10-30(11-9-29)12-13-31-21-14-20(25)16-28-17-21/h4-5,14,16-17,19H,3,6-13H2,1-2H3