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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H37ClN4O4 MolecularWeight: 517.06008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN4O4/c1-3-32-22(18-30-14-7-15-31(17-16-30)25(33)20-8-5-6-9-20)23(26(34)36-4-2)24(29-27(32)35)19-10-12-21(28)13-11-19/h10-13,20,24H,3-9,14-18H2,1-2H3,(H,29,35)