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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC(=C1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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