1-[[4-chloranyl-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[4-chloranyl-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[4-chloro-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[4-chloro-3-[(4-cyano-1-piperazinyl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[4-chloro-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[4-chloro-3-[(4-cyanopiperazino)methyl]benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C20H23ClN6O MolecularWeight: 398.88922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(CC2=CC(=C(C=C2)Cl)CN3CCN(CC3)C#N)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N(CC2=CC(=C(C=C2)Cl)CN3CCN(CC3)C#N)C(=O)N

InChI

InChI=1S/C20H23ClN6O/c1-15-2-4-18(11-24-15)27(20(23)28)12-16-3-5-19(21)17(10-16)13-25-6-8-26(14-22)9-7-25/h2-5,10-11H,6-9,12-13H2,1H3,(H2,23,28)