2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(prop-2-ynylamino)propanoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(prop-2-ynylamino)propanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-(2-methyl-3-pyridyl)-2-[4-[3-phenyl-3-(prop-2-ynylamino)propanoyl]piperazin-1-yl]acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-[1-oxo-3-phenyl-3-(prop-2-ynylamino)propyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(prop-2-ynylamino)propanoyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(2-methyl-3-pyridyl)-2-[4-[3-phenyl-3-(propargylamino)propanoyl]piperazino]acetonitrile Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O/c1-3-11-27-22(20-8-5-4-6-9-20)17-24(30)29-15-13-28(14-16-29)23(18-25)21-10-7-12-26-19(21)2/h1,4-10,12,22-23,27H,11,13-17H2,2H3