2-(1-adamantyl)-4-chloranyl-5-(prop-2-enylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(prop-2-enylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(allylamino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(prop-2-enylamino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(prop-2-enylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(allylamino)-4-chloro-pyridazin-3-one Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

C=CCNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C17H22ClN3O/c1-2-3-19-14-10-20-21(16(22)15(14)18)17-7-11-4-12(8-17)6-13(5-11)9-17/h2,10-13,19H,1,3-9H2