N-[6,12-diphenyl-2-[2-(2-piperidin-1-ylethoxy)ethanoylamino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)ethanamide

Systemtic Name: N-[6,12-diphenyl-2-[2-(2-piperidin-1-ylethoxy)ethanoylamino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)ethanamide Openeye Name: N-[6,12-diphenyl-2-[[2-[2-(1-piperidyl)ethoxy]acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-[2-(1-piperidyl)ethoxy]acetamide CAS Name: N-[2-[[1-oxo-2-[2-(1-piperidinyl)ethoxy]ethyl]amino]-6,12-diphenyl-8-benzo[c][1,5]benzodiazocinyl]-2-[2-(1-piperidinyl)ethoxy]acetamide IUPAC Name: N-[6,12-diphenyl-2-[[2-(2-piperidin-1-ylethoxy)acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)acetamide Traditional Name: N-[6,12-diphenyl-2-[[2-(2-piperidinoethoxy)acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidinoethoxy)acetamide Formula: C44H50N6O4 MolecularWeight: 726.9056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCC(=O)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=O)COCCN5CCCCC5)N=C3C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)CCOCC(=O)NC2=CC3=C(C=C2)N=C(C4=C(C=CC(=C4)NC(=O)COCCN5CCCCC5)N=C3C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H50N6O4/c51-41(31-53-27-25-49-21-9-3-10-22-49)45-35-17-19-39-37(29-35)43(33-13-5-1-6-14-33)47-40-20-18-36(30-38(40)44(48-39)34-15-7-2-8-16-34)46-42(52)32-54-28-26-50-23-11-4-12-24-50/h1-2,5-8,13-20,29-30H,3-4,9-12,21-28,31-32H2,(H,45,51)(H,46,52)