9-[(2,5-dimethylphenyl)methyl]-3-[1-(4-ethylbenzoyl)-4-piperidyl]-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one

Molecular Formula: C27H30N6O2


InChI: InChI=1/C27H30N6O2/c1-4-19-7-9-21(10-8-19)27(35)32-13-11-20(12-14-32)24-28-25-23(26(34)29-24)30-31-33(25)16-22-15-17(2)5-6-18(22)3/h5-10,15,20,31H,4,11-14,16H2,1-3H3

InChIKey: InChIKey=WZQFIMOQKCNFDO-UHFFFAOYAC
SMILES: CCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=CC(=C5)C)C

Names:
    9-[(2,5-dimethylphenyl)methyl]-3-[1-(4-ethylbenzoyl)-4-piperidyl]-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one

Registries:
    PubChem CID 1448906
    PubChem ID 6607883