4-[4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(2-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[4-(2-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(2-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperazine-1-carbonyl]benzonitrile Formula: C22H25N7O2 MolecularWeight: 419.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC=CC(=N1)N2CCN(CC2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N7O2/c1-17-24-7-6-20(25-17)26-8-12-28(13-9-26)22(31)29-14-10-27(11-15-29)21(30)19-4-2-18(16-23)3-5-19/h2-7H,8-15H2,1H3