1-(4-tert-butylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(4-tert-butylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(4-tert-butylphenyl)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(4-tert-butylphenyl)-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(4-tert-butylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(4-tert-butylphenyl)-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H32N4O/c1-29(2,3)25-11-13-26(14-12-25)33-17-15-24(22-30)27(33)28(34)32-20-18-31(19-21-32)16-7-10-23-8-5-4-6-9-23/h4-15,17H,16,18-21H2,1-3H3/b10-7+