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

Systemtic Name: 2-methyl-4-[1-[4-(4-phenoxybutyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(4-phenoxybutyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-(4-phenoxybutyl)-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(4-phenoxybutyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(4-phenoxybutyl)piperazino]hexyl]benzonitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCCOC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCCOC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O/c1-3-4-6-13-28(25-14-15-26(23-29)24(2)22-25)31-19-17-30(18-20-31)16-9-10-21-32-27-11-7-5-8-12-27/h5,7-8,11-12,14-15,22,28H,3-4,6,9-10,13,16-21H2,1-2H3