methyl 3-[(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepan-1-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carbonyl]amino]benzoic acid methyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C19H21N5O4/c1-28-18(26)14-4-2-5-16(10-14)22-19(27)24-7-3-6-23(8-9-24)17(25)15-11-20-13-21-12-15/h2,4-5,10-13H,3,6-9H2,1H3,(H,22,27)