3-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 3-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 3-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 3-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 3-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C21H21N5O3S/c1-14-16-7-3-4-8-17(16)21-23-22-20(26(21)24-14)15-9-10-18(29-2)19(13-15)30(27,28)25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12H2,1-2H3