2-[1-[3-[(4-ethanoylpiperazin-1-yl)methyl]phenyl]-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-[3-[(4-ethanoylpiperazin-1-yl)methyl]phenyl]-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-[3-[(4-acetyl-1-piperazinyl)methyl]phenyl]-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-[3-[(4-acetylpiperazino)methyl]phenyl]-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C30H27N5O2 MolecularWeight: 489.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

InChI

InChI=1S/C30H27N5O2/c1-22(36)34-15-13-33(14-16-34)20-23-7-6-9-26(17-23)35-21-25(29-11-4-5-12-32-29)18-28(30(35)37)27-10-3-2-8-24(27)19-31/h2-12,17-18,21H,13-16,20H2,1H3