4-pyrrolidin-1-yl-N-[4-[4-[2-[[2-[1-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]-1,2,3-triazol-4-yl]phenyl]carbamoylamino]phenyl]-1,2,3-triazol-1-yl]phenyl]butanamide

Systemtic Name: 4-pyrrolidin-1-yl-N-[4-[4-[2-[[2-[1-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]-1,2,3-triazol-4-yl]phenyl]carbamoylamino]phenyl]-1,2,3-triazol-1-yl]phenyl]butanamide Openeye Name: 4-pyrrolidin-1-yl-N-[4-[4-[2-[[2-[1-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]triazol-4-yl]phenyl]carbamoylamino]phenyl]triazol-1-yl]phenyl]butanamide CAS Name: N-[4-[4-[2-[[oxo-[2-[1-[4-[[1-oxo-4-(1-pyrrolidinyl)butyl]amino]phenyl]-4-triazolyl]anilino]methyl]amino]phenyl]-1-triazolyl]phenyl]-4-(1-pyrrolidinyl)butanamide IUPAC Name: 4-pyrrolidin-1-yl-N-[4-[4-[2-[[2-[1-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]triazol-4-yl]phenyl]carbamoylamino]phenyl]triazol-1-yl]phenyl]butanamide Traditional Name: 4-pyrrolidino-N-[4-[4-[2-[[2-[1-[4-(4-pyrrolidinobutanoylamino)phenyl]triazol-4-yl]phenyl]carbamoylamino]phenyl]triazol-1-yl]phenyl]butyramide Formula: C45H50N12O3 MolecularWeight: 806.9571

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=CC=C4NC(=O)NC5=CC=CC=C5C6=CN(N=N6)C7=CC=C(C=C7)NC(=O)CCCN8CCCC8

Isomeric SMILES

C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=CC=C4NC(=O)NC5=CC=CC=C5C6=CN(N=N6)C7=CC=C(C=C7)NC(=O)CCCN8CCCC8

InChI

InChI=1S/C45H50N12O3/c58-43(15-9-29-54-25-5-6-26-54)46-33-17-21-35(22-18-33)56-31-41(50-52-56)37-11-1-3-13-39(37)48-45(60)49-40-14-4-2-12-38(40)42-32-57(53-51-42)36-23-19-34(20-24-36)47-44(59)16-10-30-55-27-7-8-28-55/h1-4,11-14,17-24,31-32H,5-10,15-16,25-30H2,(H,46,58)(H,47,59)(H2,48,49,60)