InChI :InChI=1/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+
Std.InChI: InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+
InChIKey :SPWSUFUPTSJWNG-CXUHLZMHBP
Std.InChIKey: SPWSUFUPTSJWNG-CXUHLZMHSA-N
SMILES :CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1NC5=CC=CC=C25
Molar Refractivity :109.57 ± 0.5 cm3 (est)
Parachor :761.5 ± 8.0 cm3 (est)
Index of Refraction :1.723 ± 0.05
(est)
Surface Tension :57.7 ± 7.0 dyne/cm (est)
Density :1.40 ± 0.1 g/cm3 (est)
Polarizability :43.43 ± 0.5 10-24cm3 (est)