2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid 2-(4-phenylpiperazino)ethyl ester Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CN=CC=C5

InChI

InChI=1S/C31H33N5O4/c1-22-28(25-9-7-13-32-21-25)30(24-8-6-12-27(20-24)36(38)39)29(23(2)33-22)31(37)40-19-18-34-14-16-35(17-15-34)26-10-4-3-5-11-26/h3-13,20-21,30,33H,14-19H2,1-2H3