ethyl 4-[(4-cyclopentylcarbonyl-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-cyclopentylcarbonyl-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-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(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-(cyclopentanecarbonyl)-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-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-2-keto-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)CC=C)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C29H40N4O4/c1-4-15-33-24(20-31-16-10-17-32(19-18-31)27(34)22-12-7-8-13-22)25(28(35)37-5-2)26(30-29(33)36)23-14-9-6-11-21(23)3/h4,6,9,11,14,22,26H,1,5,7-8,10,12-13,15-20H2,2-3H3,(H,30,36)