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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(1,3-benzodioxole-5-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(1,3-benzodioxole-5-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(piperonyloylamino)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C27H33N5O6 MolecularWeight: 523.58082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N5O6/c1-36-27(35)32-12-10-31(11-13-32)22-8-2-17(25(33)29-20-6-4-19(28)5-7-20)14-21(22)30-26(34)18-3-9-23-24(15-18)38-16-37-23/h2-3,8-9,14-15,19-20H,4-7,10-13,16,28H2,1H3,(H,29,33)(H,30,34)