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

Systemtic Name: ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-4-(4-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzhydrylpiperazin-1-yl)-4-(4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-4-(4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzhydrylpiperazin-1-yl)-4-(4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzhydrylpiperazino)-4-(4-fluorophenyl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H31FN4O3 MolecularWeight: 514.590543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3/c1-2-38-29(37)25-26(21-13-15-24(31)16-14-21)32-30(33-28(25)36)35-19-17-34(18-20-35)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,25-27H,2,17-20H2,1H3,(H,32,33,36)