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

Systemtic Name: ethyl 2-[4-(diphenylmethyl)piperazin-1-yl]-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzhydrylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzhydrylpiperazin-1-yl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzhydrylpiperazino)-6-keto-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H31N5O5 MolecularWeight: 541.59764

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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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O5/c1-2-40-29(37)25-26(23-14-9-15-24(20-23)35(38)39)31-30(32-28(25)36)34-18-16-33(17-19-34)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,20,25-27H,2,16-19H2,1H3,(H,31,32,36)