N-(2-methoxyphenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C18H21N5O3/c1-26-16-6-3-2-5-15(16)21-18(25)23-8-4-7-22(9-10-23)17(24)14-11-19-13-20-12-14/h2-3,5-6,11-13H,4,7-10H2,1H3,(H,21,25)