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

Systemtic Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxidanylidene-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-3-methyl-2-oxo-4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-2-keto-3-methyl-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H31ClN4O4 MolecularWeight: 462.96964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC(=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C23H31ClN4O4/c1-4-19(29)28-11-7-10-27(12-13-28)15-18-20(22(30)32-5-2)21(25-23(31)26(18)3)16-8-6-9-17(24)14-16/h6,8-9,14,21H,4-5,7,10-13,15H2,1-3H3,(H,25,31)