3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyltetrazol-5-yl)methyl]benzonitrile CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)-(1-phenethyl-5-tetrazolyl)methyl]benzonitrile IUPAC Name: 3-[(4-cyclohexylpiperazin-1-yl)-(1-phenethyltetrazol-5-yl)methyl]benzonitrile Traditional Name: 3-[(4-cyclohexylpiperazino)-(1-phenethyltetrazol-5-yl)methyl]benzonitrile Formula: C27H33N7 MolecularWeight: 455.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(C3=CC=CC(=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(C3=CC=CC(=C3)C#N)C4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C27H33N7/c28-21-23-10-7-11-24(20-23)26(33-18-16-32(17-19-33)25-12-5-2-6-13-25)27-29-30-31-34(27)15-14-22-8-3-1-4-9-22/h1,3-4,7-11,20,25-26H,2,5-6,12-19H2