2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)ethanenitrile

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)ethanenitrile Openeye Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)acetonitrile CAS Name: 2-(1-methyl-2-pyrrolyl)-2-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-2-yl)acetonitrile Traditional Name: 2-[4-(3,3-diphenylpropanoyl)piperazino]-2-(1-methylpyrrol-2-yl)acetonitrile Formula: C26H28N4O MolecularWeight: 412.52672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O/c1-28-14-8-13-24(28)25(20-27)29-15-17-30(18-16-29)26(31)19-23(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,23,25H,15-19H2,1H3