3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethyl-propan-2-yl-amino]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-yl-hexyl)piperazin-1-yl]ethyl-propan-2-yl-amino]benzenecarbonitrile Openeye Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazin-1-yl]ethyl-isopropyl-amino]benzonitrile CAS Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)-1-piperazinyl]ethyl-propan-2-ylamino]benzonitrile IUPAC Name: 3-[2-[4-(4-cyano-5-methyl-4-thiophen-2-ylhexyl)piperazin-1-yl]ethyl-propan-2-ylamino]benzonitrile Traditional Name: 3-[2-[4-[4-cyano-5-methyl-4-(2-thienyl)hexyl]piperazino]ethyl-isopropyl-amino]benzonitrile Formula: C28H39N5S MolecularWeight: 477.70776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCN(C2=CC=CC(=C2)C#N)C(C)C)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCN(C2=CC=CC(=C2)C#N)C(C)C)(C#N)C3=CC=CS3

InChI

InChI=1S/C28H39N5S/c1-23(2)28(22-30,27-10-6-19-34-27)11-7-12-31-13-15-32(16-14-31)17-18-33(24(3)4)26-9-5-8-25(20-26)21-29/h5-6,8-10,19-20,23-24H,7,11-18H2,1-4H3