ethyl 4-(4-chlorophenyl)-6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-(4-chlorophenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27ClN4O3 MolecularWeight: 454.94918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O3/c1-2-32-23(31)20-21(18-8-10-19(25)11-9-18)26-24(27-22(20)30)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11,20-21H,2,12-16H2,1H3,(H,26,27,30)