5-(3-cyano-2-methyl-6-piperazin-1-yl-hexan-3-yl)thiophene-2-carbonitrile

Systemtic Name: 5-(3-cyano-2-methyl-6-piperazin-1-yl-hexan-3-yl)thiophene-2-carbonitrile Openeye Name: 5-(1-cyano-1-isopropyl-4-piperazin-1-yl-butyl)thiophene-2-carbonitrile CAS Name: 5-[3-cyano-2-methyl-6-(1-piperazinyl)hexan-3-yl]-2-thiophenecarbonitrile IUPAC Name: 5-(3-cyano-2-methyl-6-piperazin-1-ylhexan-3-yl)thiophene-2-carbonitrile Traditional Name: 5-(1-cyano-1-isopropyl-4-piperazino-butyl)thiophene-2-carbonitrile Formula: C17H24N4S MolecularWeight: 316.46426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCNCC1)(C#N)C2=CC=C(S2)C#N

Isomeric SMILES

CC(C)C(CCCN1CCNCC1)(C#N)C2=CC=C(S2)C#N

InChI

InChI=1S/C17H24N4S/c1-14(2)17(13-19,16-5-4-15(12-18)22-16)6-3-9-21-10-7-20-8-11-21/h4-5,14,20H,3,6-11H2,1-2H3