2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(4-phenylpiperazin-1-yl)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(4-phenylpiperazin-1-yl)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(4-phenylpiperazin-1-yl)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo-[3-(4-phenyl-1-piperazinyl)propoxy]methyl]-1,4-dihydropyridine-3-carboxylate IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(4-phenylpiperazin-1-yl)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[3-(4-phenylpiperazino)propoxycarbonyl]-1,4-dihydropyridine-3-carboxylate Formula: C28H31N4O6- MolecularWeight: 519.56894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H32N4O6/c1-19-24(27(33)34)26(21-8-6-11-23(18-21)32(36)37)25(20(2)29-19)28(35)38-17-7-12-30-13-15-31(16-14-30)22-9-4-3-5-10-22/h3-6,8-11,18,26,29H,7,12-17H2,1-2H3,(H,33,34)/p-1