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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(2-methylphenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCCN(CC3)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C28H38N4O4/c1-4-14-32-23(19-30-15-9-16-31(18-17-30)26(33)21-11-8-12-21)24(27(34)36-5-2)25(29-28(32)35)22-13-7-6-10-20(22)3/h4,6-7,10,13,21,25H,1,5,8-9,11-12,14-19H2,2-3H3,(H,29,35)