ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[[4-(2-pyridyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H26ClN5O3/c1-2-32-22(30)20-18(26-23(31)27-21(20)16-6-8-17(24)9-7-16)15-28-11-13-29(14-12-28)19-5-3-4-10-25-19/h3-10,21H,2,11-15H2,1H3,(H2,26,27,31)