2-[4-[3-[(diphenylmethyl)amino]propanoyl]piperazin-1-yl]-2-pyridin-4-yl-ethanenitrile

Systemtic Name: 2-[4-[3-[(diphenylmethyl)amino]propanoyl]piperazin-1-yl]-2-pyridin-4-yl-ethanenitrile Openeye Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(4-pyridyl)acetonitrile CAS Name: 2-[4-[3-[(diphenylmethyl)amino]-1-oxopropyl]-1-piperazinyl]-2-pyridin-4-ylacetonitrile IUPAC Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-pyridin-4-ylacetonitrile Traditional Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazino]-2-(4-pyridyl)acetonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=NC=C2)C(=O)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=NC=C2)C(=O)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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