1-[1-(diphenylmethyl)-3-(1H-indol-2-ylcarbonylamino)-4-propanoyl-piperazin-2-yl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[1-(diphenylmethyl)-3-(1H-indol-2-ylcarbonylamino)-4-propanoyl-piperazin-2-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanoyl-piperazin-2-yl]triazole-4-carboxylic acid CAS Name: 1-[1-(diphenylmethyl)-3-[[1H-indol-2-yl(oxo)methyl]amino]-4-(1-oxopropyl)-2-piperazinyl]-4-triazolecarboxylic acid IUPAC Name: 1-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanoylpiperazin-2-yl]triazole-4-carboxylic acid Traditional Name: 1-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propionyl-piperazin-2-yl]triazole-4-carboxylic acid Formula: C32H31N7O4 MolecularWeight: 577.63304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)N4C=C(N=N4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)N4C=C(N=N4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H31N7O4/c1-2-27(40)37-17-18-38(28(21-11-5-3-6-12-21)22-13-7-4-8-14-22)31(39-20-26(32(42)43)35-36-39)29(37)34-30(41)25-19-23-15-9-10-16-24(23)33-25/h3-16,19-20,28-29,31,33H,2,17-18H2,1H3,(H,34,41)(H,42,43)