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

Systemtic Name: 3-(3-methoxy-4-pentoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 3-(3-methoxy-4-pentoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 3-(3-methoxy-4-pentoxyphenyl)-6-(1-pyrrolidinyl)-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 3-(3-methoxy-4-pentoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 3-(4-amoxy-3-methoxy-phenyl)-6-pyrrolidino-[1,2,4]triazolo[3,4-a]phthalazine Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)OC

InChI

InChI=1S/C25H29N5O2/c1-3-4-9-16-32-21-13-12-18(17-22(21)31-2)23-26-27-24-19-10-5-6-11-20(19)25(28-30(23)24)29-14-7-8-15-29/h5-6,10-13,17H,3-4,7-9,14-16H2,1-2H3