dimethyl 1-[1-(diphenylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoyl-piperazin-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[1-(diphenylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoyl-piperazin-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-benzhydryl-3-(tert-butoxycarbonylamino)-4-propanoyl-piperazin-2-yl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(diphenylmethyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-oxopropyl)-2-piperazinyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-benzhydryl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoylpiperazin-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[1-benzhydryl-3-(tert-butoxycarbonylamino)-4-propionyl-piperazin-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C31H38N6O7 MolecularWeight: 606.66942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)N2C(=C(N=N2)C(=O)OC)C(=O)OC)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)N2C(=C(N=N2)C(=O)OC)C(=O)OC)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H38N6O7/c1-7-22(38)35-18-19-36(24(20-14-10-8-11-15-20)21-16-12-9-13-17-21)27(26(35)32-30(41)44-31(2,3)4)37-25(29(40)43-6)23(33-34-37)28(39)42-5/h8-17,24,26-27H,7,18-19H2,1-6H3,(H,32,41)