ethyl 3-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C30H30N6O4 MolecularWeight: 538.597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N6O4/c1-2-40-30(37)24-14-9-15-25(20-24)33-28-27(36(38)39)29(32-21-31-28)35-18-16-34(17-19-35)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20-21,26H,2,16-19H2,1H3,(H,31,32,33)