3-[[4-[2-[(3-cyanophenyl)methyl-cycloheptyl-amino]ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2-[(3-cyanophenyl)methyl-cycloheptyl-amino]ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-[(3-cyanophenyl)methyl-cycloheptyl-amino]ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[2-[(3-cyanophenyl)methyl-cycloheptylamino]ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[2-[(3-cyanophenyl)methyl-cycloheptylamino]ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[2-[(3-cyanobenzyl)-cycloheptyl-amino]ethyl]piperazino]methyl]benzonitrile Formula: C29H37N5 MolecularWeight: 455.63758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC(=C3)C#N)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC(=C3)C#N)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H37N5/c30-21-25-7-5-9-27(19-25)23-33-15-13-32(14-16-33)17-18-34(29-11-3-1-2-4-12-29)24-28-10-6-8-26(20-28)22-31/h5-10,19-20,29H,1-4,11-18,23-24H2