2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(E)-3-(3-chlorophenyl)acryloyl]piperazino]nicotinonitrile Formula: C19H17ClN4O MolecularWeight: 352.81748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H17ClN4O/c20-17-5-1-3-15(13-17)6-7-18(25)23-9-11-24(12-10-23)19-16(14-21)4-2-8-22-19/h1-8,13H,9-12H2/b7-6+