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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-isopropylphenyl)-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-p-cumenyl-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H40N4O4 MolecularWeight: 484.6309

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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)C(C)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O4/c1-6-23(32)30-15-9-14-29(16-17-30)18-22-24(26(33)35-8-3)25(28-27(34)31(22)7-2)21-12-10-20(11-13-21)19(4)5/h10-13,19,25H,6-9,14-18H2,1-5H3,(H,28,34)