1-[5-chloranyl-2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butoxy]phenyl]-3-(5-cyanopyridin-2-yl)urea

Systemtic Name: 1-[5-chloranyl-2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butoxy]phenyl]-3-(5-cyanopyridin-2-yl)urea Openeye Name: 1-[5-chloro-2-[4-(4-methylpiperazin-1-yl)-4-oxo-butoxy]phenyl]-3-(5-cyano-2-pyridyl)urea CAS Name: 1-[5-chloro-2-[4-(4-methyl-1-piperazinyl)-4-oxobutoxy]phenyl]-3-(5-cyano-2-pyridinyl)urea IUPAC Name: 1-[5-chloro-2-[4-(4-methylpiperazin-1-yl)-4-oxobutoxy]phenyl]-3-(5-cyanopyridin-2-yl)urea Traditional Name: 1-[5-chloro-2-[4-keto-4-(4-methylpiperazino)butoxy]phenyl]-3-(5-cyano-2-pyridyl)urea Formula: C22H25ClN6O3 MolecularWeight: 456.9253

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(C=C3)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H25ClN6O3/c1-28-8-10-29(11-9-28)21(30)3-2-12-32-19-6-5-17(23)13-18(19)26-22(31)27-20-7-4-16(14-24)15-25-20/h4-7,13,15H,2-3,8-12H2,1H3,(H2,25,26,27,31)