O3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl] O5-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl] O5-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-[3-(4-benzhydrylpiperazin-1-yl)propyl] O5-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl] ester O5-(3-nitrooxypropyl) ester IUPAC Name: 3-O-[3-(4-benzhydrylpiperazin-1-yl)propyl] 5-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[3-(4-benzhydrylpiperazino)propyl] ester O5-(3-nitrooxypropyl) ester Formula: C38H43N5O9 MolecularWeight: 713.77612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H43N5O9/c1-27-33(35(31-16-9-17-32(26-31)42(46)47)34(28(2)39-27)38(45)51-24-11-25-52-43(48)49)37(44)50-23-10-18-40-19-21-41(22-20-40)36(29-12-5-3-6-13-29)30-14-7-4-8-15-30/h3-9,12-17,26,35-36,39H,10-11,18-25H2,1-2H3