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

Systemtic Name: methyl 4-[4-(1,4-diazepan-1-ylcarbonyl)-2-(pyridin-4-ylcarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-4-carbonylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,4-diazepane-1-carbonyl)-2-(pyridine-4-carbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,4-diazepane-1-carbonyl)-2-isonicotinamido-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4/c1-34-24(33)30-15-13-28(14-16-30)21-4-3-19(23(32)29-11-2-7-25-10-12-29)17-20(21)27-22(31)18-5-8-26-9-6-18/h3-6,8-9,17,25H,2,7,10-16H2,1H3,(H,27,31)