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

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-6-(4-isopropylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-3-ethyl-2-keto-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H44N4O4 MolecularWeight: 524.69476

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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)CN3CCCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C30H44N4O4/c1-5-34-25(20-32-16-9-17-33(19-18-32)28(35)24-10-7-8-11-24)26(29(36)38-6-2)27(31-30(34)37)23-14-12-22(13-15-23)21(3)4/h12-15,21,24,27H,5-11,16-20H2,1-4H3,(H,31,37)