2-methyl-4-[1-(4-phenethylpiperazin-1-yl)hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-(4-phenethylpiperazin-1-yl)hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-(4-phenethylpiperazin-1-yl)hexyl]benzonitrile CAS Name: 2-methyl-4-[1-(4-phenethyl-1-piperazinyl)hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-(4-phenethylpiperazin-1-yl)hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-(4-phenethylpiperazino)hexyl]benzonitrile Formula: C26H35N3 MolecularWeight: 389.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H35N3/c1-3-4-6-11-26(24-12-13-25(21-27)22(2)20-24)29-18-16-28(17-19-29)15-14-23-9-7-5-8-10-23/h5,7-10,12-13,20,26H,3-4,6,11,14-19H2,1-2H3