4-(4-phenethylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-phenethylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-phenethylpiperazine-1-carbonyl)benzonitrile CAS Name: 4-[oxo-(4-phenethyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 4-(4-phenethylpiperazine-1-carbonyl)benzonitrile Traditional Name: 4-(4-phenethylpiperazine-1-carbonyl)benzonitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c21-16-18-6-8-19(9-7-18)20(24)23-14-12-22(13-15-23)11-10-17-4-2-1-3-5-17/h1-9H,10-15H2