4-[4-(1-pyrimidin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-pyrimidin-4-ylpiperidin-4-yl)carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(1-pyrimidin-4-ylpiperidine-4-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[oxo-[1-(4-pyrimidinyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(1-pyrimidin-4-ylpiperidine-4-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[1-(4-pyrimidyl)isonipecotoyl]piperazine-1-carbonyl]benzonitrile Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C4=NC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N)C4=NC=NC=C4

InChI

InChI=1S/C22H24N6O2/c23-15-17-1-3-18(4-2-17)21(29)27-11-13-28(14-12-27)22(30)19-6-9-26(10-7-19)20-5-8-24-16-25-20/h1-5,8,16,19H,6-7,9-14H2