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

Systemtic Name: 2-[4-[3-[(diphenylmethyl)amino]propanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-[3-[(diphenylmethyl)amino]-1-oxopropyl]-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[3-(benzhydrylamino)propanoyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CCNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O/c1-22-25(13-8-15-30-22)26(21-29)32-17-19-33(20-18-32)27(34)14-16-31-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-13,15,26,28,31H,14,16-20H2,1H3