ethyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-6-(2-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H40N4O5 MolecularWeight: 512.641

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C28H40N4O5/c1-4-32-22(19-30-15-10-16-31(18-17-30)26(33)20-11-6-7-12-20)24(27(34)37-5-2)25(29-28(32)35)21-13-8-9-14-23(21)36-3/h8-9,13-14,20,25H,4-7,10-12,15-19H2,1-3H3,(H,29,35)