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

Systemtic Name: ethyl 4-(3-nitrophenyl)-6-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-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-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazino)-6-keto-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5/c1-2-34-23(31)20-21(18-9-6-10-19(15-18)29(32)33)25-24(26-22(20)30)28-13-11-27(12-14-28)16-17-7-4-3-5-8-17/h3-10,15,20-21H,2,11-14,16H2,1H3,(H,25,26,30)