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

Systemtic Name: methyl 4-[2-(methoxycarbonylamino)-4-piperazin-1-ylcarbonyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-(methoxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-(methoxycarbonylamino)-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(methoxycarbonylamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(carbomethoxyamino)-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)OC

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C19H27N5O5/c1-28-18(26)21-15-13-14(17(25)23-7-5-20-6-8-23)3-4-16(15)22-9-11-24(12-10-22)19(27)29-2/h3-4,13,20H,5-12H2,1-2H3,(H,21,26)