2-methyl-4-[1-[4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(tetralin-2-carbonyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[oxo(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(tetralin-2-carbonyl)piperazino]hexyl]benzonitrile Formula: C29H37N3O MolecularWeight: 443.62358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)C3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)C3CCC4=CC=CC=C4C3

InChI

InChI=1S/C29H37N3O/c1-3-4-5-10-28(25-12-14-27(21-30)22(2)19-25)31-15-17-32(18-16-31)29(33)26-13-11-23-8-6-7-9-24(23)20-26/h6-9,12,14,19,26,28H,3-5,10-11,13,15-18,20H2,1-2H3