4-[[4-(4-ethylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-ethylbenzoyl)piperazino]methyl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O/c1-2-17-7-9-20(10-8-17)21(25)24-13-11-23(12-14-24)16-19-5-3-18(15-22)4-6-19/h3-10H,2,11-14,16H2,1H3