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

Systemtic Name: ethyl 6-(3-chlorophenyl)-2-oxidanylidene-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-chlorophenyl)-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-2-oxo-4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-chlorophenyl)-2-keto-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H33ClN4O4 MolecularWeight: 489.00692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4O4/c1-4-11-30-20(17-28-12-8-13-29(15-14-28)21(31)5-2)22(24(32)34-6-3)23(27-25(30)33)18-9-7-10-19(26)16-18/h4,7,9-10,16,23H,1,5-6,8,11-15,17H2,2-3H3,(H,27,33)