2-[4-[2-[bis(phenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile

Systemtic Name: 2-[4-[2-[bis(phenylmethyl)amino]ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[2-(dibenzylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[2-[bis(phenylmethyl)amino]-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[2-(dibenzylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[2-(dibenzylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N5O/c28-18-26(25-12-7-13-29-19-25)31-14-16-32(17-15-31)27(33)22-30(20-23-8-3-1-4-9-23)21-24-10-5-2-6-11-24/h1-13,19,26H,14-17,20-22H2