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

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC=C)CN3CCCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC=C)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C28H38N4O4/c1-3-15-32-23(20-30-16-10-17-31(19-18-30)26(33)22-13-8-9-14-22)24(27(34)36-4-2)25(29-28(32)35)21-11-6-5-7-12-21/h3,5-7,11-12,22,25H,1,4,8-10,13-20H2,2H3,(H,29,35)