ethyl 6-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-cyanobenzyl)piperazino]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29N5O3/c1-2-34-25(32)23-22(28-26(33)29-24(23)21-6-4-3-5-7-21)18-31-14-12-30(13-15-31)17-20-10-8-19(16-27)9-11-20/h3-11,24H,2,12-15,17-18H2,1H3,(H2,28,29,33)