ditert-butyl 2-[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[3-imidazol-1-ylpropyl(3-pyridylmethyl)carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(1-imidazolyl)propyl-(3-pyridinylmethyl)amino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-imidazol-1-ylpropyl(pyridin-3-ylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[3-imidazol-1-ylpropyl(3-pyridylmethyl)carbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C27H40N6O5 MolecularWeight: 528.6437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CCCN2C=CN=C2)CC3=CN=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CCCN2C=CN=C2)CC3=CN=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N6O5/c1-26(2,3)37-24(35)32-15-16-33(25(36)38-27(4,5)6)22(19-32)23(34)31(18-21-9-7-10-28-17-21)13-8-12-30-14-11-29-20-30/h7,9-11,14,17,20,22H,8,12-13,15-16,18-19H2,1-6H3