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

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-[(phenylmethyl)amino]propanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[3-(benzylamino)-3-phenyl-propanoyl]piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-[1-oxo-3-phenyl-3-[(phenylmethyl)amino]propyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[3-(benzylamino)-3-phenylpropanoyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-[3-(benzylamino)-3-phenyl-propanoyl]piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C28H31N5O MolecularWeight: 453.57864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NCC4=CC=CC=C4

InChI

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