(2E)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole

Systemtic Name: (2E)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole Openeye Name: (2E)-2-(5-benzyloxy-1,2-dihydroindazol-3-ylidene)-5-[4-(1-piperidyl)-1-piperidyl]benzimidazole CAS Name: (2E)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)-5-[4-(1-piperidinyl)-1-piperidinyl]benzimidazole IUPAC Name: (2E)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)-5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazole Traditional Name: (2E)-2-(5-benzoxyindazolin-3-ylidene)-5-(4-piperidinopiperidino)benzimidazole Formula: C31H34N6O MolecularWeight: 506.64126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=CC4=NC(=C5C6=C(C=CC(=C6)OCC7=CC=CC=C7)NN5)N=C4C=C3

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=CC4=N/C(=C/5\C6=C(C=CC(=C6)OCC7=CC=CC=C7)NN5)/N=C4C=C3

InChI

InChI=1S/C31H34N6O/c1-3-7-22(8-4-1)21-38-25-10-12-27-26(20-25)30(35-34-27)31-32-28-11-9-24(19-29(28)33-31)37-17-13-23(14-18-37)36-15-5-2-6-16-36/h1,3-4,7-12,19-20,23,34-35H,2,5-6,13-18,21H2/b31-30+