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

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(benzyloxycarbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-(phenylmethoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O5/c1-35-26(34)31-16-14-29(15-17-31)23-9-8-21(24(32)30-12-5-10-27-11-13-30)18-22(23)28-25(33)36-19-20-6-3-2-4-7-20/h2-4,6-9,18,27H,5,10-17,19H2,1H3,(H,28,33)