LSM-9496 (CHEBI:98117)

CHEBI:98117 - LSM-9496

Formula	C20H19N3O2
Net Charge	0
Average Mass	333.391
Monoisotopic Mass	333.14773
SMILES	CC=Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3cccnc3)[C@@H]2CO)cc1
InChI	InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18-,19-/m1/s1
InChIKey	SONVGTXFTWWDQR-GUDVDZBRSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-9496 (CHEBI:98117) is a azetidines (CHEBI:38777)
	LSM-9496 (CHEBI:98117) is a benzenes (CHEBI:22712)
	LSM-9496 (CHEBI:98117) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-9496	LINCS