2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridinyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-(4-phenylpiperazino)ethyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H35N5O4/c1-23-20-28(24-8-6-12-27(21-24)36(38)39)29(31(2,33-23)25-9-7-13-32-22-25)30(37)40-19-18-34-14-16-35(17-15-34)26-10-4-3-5-11-26/h3-13,20-22,28-29,33H,14-19H2,1-2H3