1-[5-chloranyl-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea

Systemtic Name: 1-[5-chloranyl-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea Openeye Name: 1-[5-chloro-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea CAS Name: 1-[5-chloro-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methyl-2-pyrazinyl)urea IUPAC Name: 1-[5-chloro-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea Traditional Name: 1-[5-chloro-2-(1,4-oxazepan-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)Cl)OCC3CNCCCO3

Isomeric SMILES

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)Cl)OCC3CNCCCO3

InChI

InChI=1S/C18H22ClN5O3/c1-12-8-22-17(10-21-12)24-18(25)23-15-7-13(19)3-4-16(15)27-11-14-9-20-5-2-6-26-14/h3-4,7-8,10,14,20H,2,5-6,9,11H2,1H3,(H2,22,23,24,25)