(2E)-2-[6-(ethoxymethyl)-1,2-dihydroindazol-3-ylidene]-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole

Systemtic Name: (2E)-2-[6-(ethoxymethyl)-1,2-dihydroindazol-3-ylidene]-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole Openeye Name: (2E)-2-[6-(ethoxymethyl)-1,2-dihydroindazol-3-ylidene]-5-[4-(1-piperidyl)-1-piperidyl]benzimidazole CAS Name: (2E)-2-[6-(ethoxymethyl)-1,2-dihydroindazol-3-ylidene]-5-[4-(1-piperidinyl)-1-piperidinyl]benzimidazole IUPAC Name: (2E)-2-[6-(ethoxymethyl)-1,2-dihydroindazol-3-ylidene]-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole Traditional Name: (2E)-2-[6-(ethoxymethyl)indazolin-3-ylidene]-5-(4-piperidinopiperidino)benzimidazole Formula: C27H34N6O MolecularWeight: 458.59846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC2=C(C=C1)C(=C3N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6)NN2

Isomeric SMILES

CCOCC1=CC2=C(C=C1)/C(=C\3/N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6)/NN2

InChI

InChI=1S/C27H34N6O/c1-2-34-18-19-6-8-22-24(16-19)30-31-26(22)27-28-23-9-7-21(17-25(23)29-27)33-14-10-20(11-15-33)32-12-4-3-5-13-32/h6-9,16-17,20,30-31H,2-5,10-15,18H2,1H3/b27-26+