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

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(pyridin-3-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[oxo(3-pyridinyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-nicotinamido-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4/c1-34-24(33)30-14-12-28(13-15-30)21-6-5-18(23(32)29-10-3-8-25-9-11-29)16-20(21)27-22(31)19-4-2-7-26-17-19/h2,4-7,16-17,25H,3,8-15H2,1H3,(H,27,31)