2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(pyridin-3-ylmethylamino)propanoyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(pyridin-3-ylmethylamino)propanoyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-(2-methyl-3-pyridyl)-2-[4-[3-phenyl-3-(3-pyridylmethylamino)propanoyl]piperazin-1-yl]acetonitrile CAS Name: 2-(2-methyl-3-pyridinyl)-2-[4-[1-oxo-3-phenyl-3-(3-pyridinylmethylamino)propyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(2-methylpyridin-3-yl)-2-[4-[3-phenyl-3-(pyridin-3-ylmethylamino)propanoyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(2-methyl-3-pyridyl)-2-[4-[3-phenyl-3-(3-pyridylmethylamino)propanoyl]piperazino]acetonitrile Formula: C27H30N6O MolecularWeight: 454.5667

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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)NCC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O/c1-21-24(10-6-12-30-21)26(18-28)32-13-15-33(16-14-32)27(34)17-25(23-8-3-2-4-9-23)31-20-22-7-5-11-29-19-22/h2-12,19,25-26,31H,13-17,20H2,1H3