4-[(2-oxidanylidenepyrrolidin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-oxidanylidenepyrrolidin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-oxopyrrolidin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile CAS Name: 4-[(2-oxo-1-pyrrolidinyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[(2-oxopyrrolidin-1-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-ketopyrrolidino)-[4-(2-pyrimidyl)piperazino]methyl]benzonitrile Formula: C20H22N6O MolecularWeight: 362.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(=O)N(C1)C(C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O/c21-15-16-4-6-17(7-5-16)19(26-10-1-3-18(26)27)24-11-13-25(14-12-24)20-22-8-2-9-23-20/h2,4-9,19H,1,3,10-14H2