2-(phenoxymethyl)-4-(3-piperidin-1-ylpropoxy)-1-[3-(1-prop-2-enylpiperidin-4-yl)propyl]benzimidazole

Systemtic Name: 2-(phenoxymethyl)-4-(3-piperidin-1-ylpropoxy)-1-[3-(1-prop-2-enylpiperidin-4-yl)propyl]benzimidazole Openeye Name: 1-[3-(1-allyl-4-piperidyl)propyl]-2-(phenoxymethyl)-4-[3-(1-piperidyl)propoxy]benzimidazole CAS Name: 2-(phenoxymethyl)-4-[3-(1-piperidinyl)propoxy]-1-[3-(1-prop-2-enyl-4-piperidinyl)propyl]benzimidazole IUPAC Name: 2-(phenoxymethyl)-4-(3-piperidin-1-ylpropoxy)-1-[3-(1-prop-2-enylpiperidin-4-yl)propyl]benzimidazole Traditional Name: 1-[3-(1-allyl-4-piperidyl)propyl]-2-(phenoxymethyl)-4-(3-piperidinopropoxy)benzimidazole Formula: C33H46N4O2 MolecularWeight: 530.74394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(CC1)CCCN2C3=C(C(=CC=C3)OCCCN4CCCCC4)N=C2COC5=CC=CC=C5

Isomeric SMILES

C=CCN1CCC(CC1)CCCN2C3=C(C(=CC=C3)OCCCN4CCCCC4)N=C2COC5=CC=CC=C5

InChI

InChI=1S/C33H46N4O2/c1-2-19-35-24-17-28(18-25-35)12-10-23-37-30-15-9-16-31(38-26-11-22-36-20-7-4-8-21-36)33(30)34-32(37)27-39-29-13-5-3-6-14-29/h2-3,5-6,9,13-16,28H,1,4,7-8,10-12,17-27H2