4-[[3-tert-butyl-4-(2-piperidin-4-ylethanoyl)piperazin-1-yl]-phenyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-tert-butyl-4-(2-piperidin-4-ylethanoyl)piperazin-1-yl]-phenyl-methyl]benzenecarbonitrile Openeye Name: 4-[[3-tert-butyl-4-[2-(4-piperidyl)acetyl]piperazin-1-yl]-phenyl-methyl]benzonitrile CAS Name: 4-[[3-tert-butyl-4-[1-oxo-2-(4-piperidinyl)ethyl]-1-piperazinyl]-phenylmethyl]benzonitrile IUPAC Name: 4-[[3-tert-butyl-4-(2-piperidin-4-ylacetyl)piperazin-1-yl]-phenylmethyl]benzonitrile Traditional Name: 4-[[3-tert-butyl-4-[2-(4-piperidyl)acetyl]piperazino]-phenyl-methyl]benzonitrile Formula: C29H38N4O MolecularWeight: 458.63822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H38N4O/c1-29(2,3)26-21-32(17-18-33(26)27(34)19-22-13-15-31-16-14-22)28(24-7-5-4-6-8-24)25-11-9-23(20-30)10-12-25/h4-12,22,26,28,31H,13-19,21H2,1-3H3