methyl 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]methyl]benzoate CAS Name: 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]methyl]benzoate Traditional Name: 2-[[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazino]methyl]benzoic acid methyl ester Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

InChI

InChI=1S/C26H30N6O2/c1-34-26(33)23-7-3-2-5-21(23)17-31-13-11-30(12-14-31)10-4-6-20-16-27-25-9-8-22(15-24(20)25)32-18-28-29-19-32/h2-3,5,7-9,15-16,18-19,27H,4,6,10-14,17H2,1H3