4-pyrrolidin-1-yl-N-[4-[4-[4-[[4-[3-[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-[4-[[4-[3-[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-[4-[[4-[3-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]triazol-4-yl]phenyl]carbamoylamino]phenyl]triazol-1-yl]phenyl]butanamide CAS Name: N-[4-[4-[4-[[oxo-[4-[3-[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-[4-[[4-[3-[4-(4-pyrrolidin-1-ylbutanoylamino)phenyl]triazol-4-yl]phenyl]carbamoylamino]phenyl]triazol-1-yl]phenyl]butanamide Traditional Name: 4-pyrrolidino-N-[4-[4-[4-[[4-[3-[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=C(C=C4)NC(=O)NC5=CC=C(C=C5)C6=CN=NN6C7=CC=C(C=C7)NC(=O)CCCN8CCCC8

Isomeric SMILES

C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)N3C=C(N=N3)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)C6=CN=NN6C7=CC=C(C=C7)NC(=O)CCCN8CCCC8

InChI

InChI=1S/C45H50N12O3/c58-43(7-5-29-54-25-1-2-26-54)47-35-17-21-39(22-18-35)56-32-41(51-53-56)33-9-13-37(14-10-33)49-45(60)50-38-15-11-34(12-16-38)42-31-46-52-57(42)40-23-19-36(20-24-40)48-44(59)8-6-30-55-27-3-4-28-55/h9-24,31-32H,1-8,25-30H2,(H,47,58)(H,48,59)(H2,49,50,60)