4-[[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-[(E)-3-phenylacryloyl]isonipecotoyl]piperazino]methyl]benzonitrile Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c28-20-23-6-8-24(9-7-23)21-29-16-18-31(19-17-29)27(33)25-12-14-30(15-13-25)26(32)11-10-22-4-2-1-3-5-22/h1-11,25H,12-19,21H2/b11-10+