bis[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] 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 bis[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl] ester IUPAC Name: bis[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl] 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 bis[3-[4-(2-pyrimidyl)piperazino]propyl] ester Formula: C37H46N10O6 MolecularWeight: 726.82454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCCN5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCCN5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C37H46N10O6/c1-27-31(34(48)52-24-6-14-43-16-20-45(21-17-43)36-38-10-4-11-39-36)33(29-8-3-9-30(26-29)47(50)51)32(28(2)42-27)35(49)53-25-7-15-44-18-22-46(23-19-44)37-40-12-5-13-41-37/h3-5,8-13,26,33,42H,6-7,14-25H2,1-2H3