methyl 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-4-(1,4-diazepan-1-ylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxole-5-carbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxole-5-carbonylamino)-4-(1,4-diazepane-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-(piperonyloylamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

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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)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCNCC3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O6/c1-35-26(34)31-13-11-29(12-14-31)21-5-3-19(25(33)30-9-2-7-27-8-10-30)15-20(21)28-24(32)18-4-6-22-23(16-18)37-17-36-22/h3-6,15-16,27H,2,7-14,17H2,1H3,(H,28,32)