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OS7

Summary
Name:7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
Formula:C23 H22 N4 O
Formal charge:0
Formula weight:370.447 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
OpenEye OEToolkits2.0.77-[3-(aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl]-4-methyl-quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3ccccn3)CN)c4
InChIInChI1.03InChI=1S/C23H22N4O/c1-15-10-23(25)27-21-12-17(5-7-20(15)21)16-6-8-22(18(11-16)13-24)28-14-19-4-2-3-9-26-19/h2-12H,13-14,24H2,1H3,(H2,25,27)
InChIKeyInChI1.03IYSGQZIVZRDDAE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4ccccn4)c(CN)c3
SMILESCACTVS3.385Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4ccccn4)c(CN)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N
SMILESOpenEye OEToolkits2.0.7Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N

222415

數據於2024-07-10公開中

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