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

Systemtic Name: ethyl 2-oxidanylidene-6-phenyl-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-6-phenyl-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-phenyl-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-phenyl-4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H34N4O4 MolecularWeight: 454.56186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4/c1-4-13-29-20(18-27-14-10-15-28(17-16-27)21(30)5-2)22(24(31)33-6-3)23(26-25(29)32)19-11-8-7-9-12-19/h4,7-9,11-12,23H,1,5-6,10,13-18H2,2-3H3,(H,26,32)