3-(3-propoxypyrrolidin-1-yl)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine

Systemtic Name: 3-(3-propoxypyrrolidin-1-yl)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine Openeye Name: 3-(3-propoxypyrrolidin-1-yl)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine CAS Name: 3-(3-propoxy-1-pyrrolidinyl)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine IUPAC Name: 3-(3-propoxypyrrolidin-1-yl)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine Traditional Name: 3-(3-propoxypyrrolidino)-5-(2-propylphenyl)-6-(4-propylphenyl)-1,2,4-triazine Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(N=C(N=N2)N3CCC(C3)OCCC)C4=CC=CC=C4CCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(N=C(N=N2)N3CCC(C3)OCCC)C4=CC=CC=C4CCC

InChI

InChI=1S/C28H36N4O/c1-4-9-21-13-15-23(16-14-21)26-27(25-12-8-7-11-22(25)10-5-2)29-28(31-30-26)32-18-17-24(20-32)33-19-6-3/h7-8,11-16,24H,4-6,9-10,17-20H2,1-3H3