N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine Traditional Name: [6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-piperonyl-amine Formula: C21H18ClN5O2 MolecularWeight: 407.85292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC(=C3)Cl)N=C2NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H18ClN5O2/c1-12-7-13(2)27(26-12)21-20(24-16-5-4-15(22)9-17(16)25-21)23-10-14-3-6-18-19(8-14)29-11-28-18/h3-9H,10-11H2,1-2H3,(H,23,24)