4-[4-(4-aminophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-aminophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-aminobenzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(4-aminophenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(4-aminobenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(4-aminobenzoyl)piperazino]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N4O/c19-13-14-1-7-17(8-2-14)21-9-11-22(12-10-21)18(23)15-3-5-16(20)6-4-15/h1-8H,9-12,20H2