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

Systemtic Name: 1-[[4-chloranyl-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[4-chloro-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[[4-chloro-3-[(4-cyano-1-piperazinyl)methyl]phenyl]methyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[4-chloro-3-[(4-cyanopiperazin-1-yl)methyl]phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[4-chloro-3-[(4-cyanopiperazino)methyl]benzyl]-3-(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)NC(=O)NCC2=CC(=C(C=C2)Cl)CN3CCN(CC3)C#N

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=CC(=C(C=C2)Cl)CN3CCN(CC3)C#N

InChI

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