ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCCNCC3

InChI

InChI=1S/C24H36N4O3/c1-5-28-20(16-27-14-7-12-25-13-15-27)21(23(29)31-6-2)22(26-24(28)30)19-10-8-18(9-11-19)17(3)4/h8-11,17,22,25H,5-7,12-16H2,1-4H3,(H,26,30)