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

Systemtic Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H25N5O2S/c1-3-8-21-24-25-23-19-10-5-4-9-18(19)22(26-28(21)23)17-12-11-16(2)20(15-17)31(29,30)27-13-6-7-14-27/h4-5,9-12,15H,3,6-8,13-14H2,1-2H3