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

Systemtic Name: 2-[4-[3-[(diphenylmethyl)amino]propanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile Openeye Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile CAS Name: 2-[4-[3-[(diphenylmethyl)amino]-1-oxopropyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile Traditional Name: 2-[4-[3-(benzhydrylamino)propanoyl]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)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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