2-methyl-4-[1-[4-[2-(3-thiophen-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[2-(3-thiophen-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[2-[3-(3-thienyl)phenoxy]ethyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-[3-(3-thiophenyl)phenoxy]ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[2-(3-thiophen-3-ylphenoxy)ethyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[2-[3-(3-thienyl)phenoxy]ethyl]piperazino]hexyl]benzonitrile Formula: C30H37N3OS MolecularWeight: 487.69928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC(=C3)C4=CSC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C30H37N3OS/c1-3-4-5-9-30(26-10-11-27(22-31)24(2)20-26)33-15-13-32(14-16-33)17-18-34-29-8-6-7-25(21-29)28-12-19-35-23-28/h6-8,10-12,19-21,23,30H,3-5,9,13-18H2,1-2H3