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

Systemtic Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxidanylidene-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-3-ethyl-2-keto-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H33ClN4O4 MolecularWeight: 476.99622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C24H33ClN4O4/c1-4-20(30)28-13-7-12-27(14-15-28)16-19-21(23(31)33-6-3)22(26-24(32)29(19)5-2)17-8-10-18(25)11-9-17/h8-11,22H,4-7,12-16H2,1-3H3,(H,26,32)