6-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]pyridine-2-carbonitrile

Systemtic Name: 6-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]pyridine-2-carbonitrile Openeye Name: 6-[2-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazin-1-yl]ethoxy]pyridine-2-carbonitrile CAS Name: 6-[2-[4-[4-cyano-4-(5-isocyano-2-thiophenyl)-5-methylhexyl]-1-piperazinyl]ethoxy]-2-pyridinecarbonitrile IUPAC Name: 6-[2-[4-[4-cyano-4-(5-isocyanothiophen-2-yl)-5-methylhexyl]piperazin-1-yl]ethoxy]pyridine-2-carbonitrile Traditional Name: 6-[2-[4-[4-cyano-4-(5-isocyano-2-thienyl)-5-methyl-hexyl]piperazino]ethoxy]picolinonitrile Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=N2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=CC(=N2)C#N)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C25H30N6OS/c1-20(2)25(19-27,22-8-9-24(28-3)33-22)10-5-11-30-12-14-31(15-13-30)16-17-32-23-7-4-6-21(18-26)29-23/h4,6-9,20H,5,10-17H2,1-2H3