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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C32H40N4O5 MolecularWeight: 560.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCCN(CC4)C(=O)C5CCC5

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCCN(CC4)C(=O)C5CCC5

InChI

InChI=1S/C32H40N4O5/c1-3-36-27(22-34-17-10-18-35(20-19-34)30(37)23-11-8-12-23)28(31(38)40-4-2)29(33-32(36)39)24-13-9-16-26(21-24)41-25-14-6-5-7-15-25/h5-7,9,13-16,21,23,29H,3-4,8,10-12,17-20,22H2,1-2H3,(H,33,39)