1-[3-[(4-cyanopiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[3-[(4-cyanopiperazin-1-yl)methyl]-2-fluoranyl-phenyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[3-[(4-cyanopiperazin-1-yl)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[3-[(4-cyano-1-piperazinyl)methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[3-[(4-cyanopiperazin-1-yl)methyl]-2-fluorophenyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-cyanopiperazino)methyl]-2-fluoro-phenyl]-3-(6-methyl-3-pyridyl)urea Formula: C19H21FN6O MolecularWeight: 368.408043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C#N

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C#N

InChI

InChI=1S/C19H21FN6O/c1-14-5-6-16(11-22-14)23-19(27)24-17-4-2-3-15(18(17)20)12-25-7-9-26(13-21)10-8-25/h2-6,11H,7-10,12H2,1H3,(H2,23,24,27)