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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-[[4-[cyclopropyl(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-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H33ClN4O4 MolecularWeight: 489.00692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C25H33ClN4O4/c1-3-30-20(16-28-12-5-13-29(15-14-28)23(31)18-6-7-18)21(24(32)34-4-2)22(27-25(30)33)17-8-10-19(26)11-9-17/h8-11,18,22H,3-7,12-16H2,1-2H3,(H,27,33)