2-[4-(3,3-diphenylprop-2-enoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile

Systemtic Name: 2-[4-(3,3-diphenylprop-2-enoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-(3,3-diphenylprop-2-enoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-(1-oxo-3,3-diphenylprop-2-enyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3,3-diphenylprop-2-enoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(3,3-diphenylacryloyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)C=C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)C=C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O/c1-21-24(13-8-14-29-21)26(20-28)30-15-17-31(18-16-30)27(32)19-25(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,26H,15-18H2,1H3