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

Systemtic Name: ethyl 4-[(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(4-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(4-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(4-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(4-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(4-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H33FN4O4 MolecularWeight: 484.563023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C26H33FN4O4/c1-3-12-31-21(17-29-13-5-14-30(16-15-29)24(32)19-6-7-19)22(25(33)35-4-2)23(28-26(31)34)18-8-10-20(27)11-9-18/h3,8-11,19,23H,1,4-7,12-17H2,2H3,(H,28,34)