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

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile CAS Name: 1-(2,4-dimethylphenyl)-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(2,4-dimethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-(2,4-dimethylphenyl)pyrrole-3-carbonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C27H28N4O/c1-21-10-11-25(22(2)19-21)31-14-12-24(20-28)26(31)27(32)30-17-15-29(16-18-30)13-6-9-23-7-4-3-5-8-23/h3-12,14,19H,13,15-18H2,1-2H3/b9-6+