1-[[3-chloranyl-5-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[3-chloranyl-5-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[3-chloro-5-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[3-chloro-5-[(4-cyano-1-piperazinyl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[3-chloro-5-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-chloro-5-[(4-cyanopiperazino)methyl]benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C20H23ClN6O MolecularWeight: 398.88922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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