methyl 4-[4-piperazin-1-ylcarbonyl-2-(pyridin-3-ylcarbonylamino)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-piperazin-1-ylcarbonyl-2-(pyridin-3-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(piperazine-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[oxo(1-piperazinyl)methyl]-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(piperazine-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-nicotinamido-4-(piperazine-1-carbonyl)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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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)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O4/c1-33-23(32)29-13-11-27(12-14-29)20-5-4-17(22(31)28-9-7-24-8-10-28)15-19(20)26-21(30)18-3-2-6-25-16-18/h2-6,15-16,24H,7-14H2,1H3,(H,26,30)