methyl 4-[4-methyl-3-(phenylcarbamoyl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,7-trien-2-yl]benzoate

Molecular Formula: C20H18N6O3


InChI: InChI=1/C20H18N6O3/c1-12-16(18(27)22-15-6-4-3-5-7-15)17(26-20(21-12)23-24-25-26)13-8-10-14(11-9-13)19(28)29-2/h3-11,17H,1-2H3,(H,22,27)(H,21,23,25)/f/h22,25H

InChIKey: InChIKey=JDMNNBZELQLNFC-WKAABZQDCI
SMILES: CC1=C(C(N2C(=N1)N=NN2)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4

Names:
    methyl 4-[4-methyl-3-(phenylcarbamoyl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,7-trien-2-yl]benzoate

Registries:
    PubChem CID 5711636
    PubChem ID 3245134