methyl 4-[2-(phenylmethoxycarbonylamino)-4-piperazin-1-ylcarbonyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-(phenylmethoxycarbonylamino)-4-piperazin-1-ylcarbonyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(benzyloxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[oxo(1-piperazinyl)methyl]-2-(phenylmethoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(phenylmethoxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O5/c1-34-25(33)30-15-13-28(14-16-30)22-8-7-20(23(31)29-11-9-26-10-12-29)17-21(22)27-24(32)35-18-19-5-3-2-4-6-19/h2-8,17,26H,9-16,18H2,1H3,(H,27,32)