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

Systemtic Name: 5-[3-cyano-2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]hexan-3-yl]thiophene-2-carbonitrile Openeye Name: 5-[1-cyano-1-isopropyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]thiophene-2-carbonitrile CAS Name: 5-[3-cyano-2-methyl-6-[4-(2-phenoxyethyl)-1-piperazinyl]hexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[3-cyano-2-methyl-6-[4-(2-phenoxyethyl)piperazin-1-yl]hexan-3-yl]thiophene-2-carbonitrile Traditional Name: 5-[1-cyano-1-isopropyl-4-[4-(2-phenoxyethyl)piperazino]butyl]thiophene-2-carbonitrile Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-21(2)25(20-27,24-10-9-23(19-26)31-24)11-6-12-28-13-15-29(16-14-28)17-18-30-22-7-4-3-5-8-22/h3-5,7-10,21H,6,11-18H2,1-2H3