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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-(3-phenoxyphenyl)-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-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-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-6-(3-phenoxyphenyl)-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(3-phenoxyphenyl)-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCCN(CC1)CC2=C(C(NC(=O)N2CC)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C30H38N4O5/c1-4-26(35)33-17-11-16-32(18-19-33)21-25-27(29(36)38-6-3)28(31-30(37)34(25)5-2)22-12-10-15-24(20-22)39-23-13-8-7-9-14-23/h7-10,12-15,20,28H,4-6,11,16-19,21H2,1-3H3,(H,31,37)