pyridin-3-yl 4-[4-(diphenylmethyl)piperazin-1-yl]-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: pyridin-3-yl 4-[4-(diphenylmethyl)piperazin-1-yl]-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate Openeye Name: 3-pyridyl 4-(4-benzhydrylpiperazin-1-yl)-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(4-benzhydrylpiperazin-1-yl)-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate Traditional Name: 4-(4-benzhydrylpiperazino)-1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 3-pyridyl ester Formula: C38H39N5O4 MolecularWeight: 629.74736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(C(=C1C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCN1C(=CC(C(=C1C)C(=O)OC2=CN=CC=C2)(C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C38H39N5O4/c1-4-42-28(2)26-38(32-17-11-18-33(25-32)43(45)46,35(29(42)3)37(44)47-34-19-12-20-39-27-34)41-23-21-40(22-24-41)36(30-13-7-5-8-14-30)31-15-9-6-10-16-31/h5-20,25-27,36H,4,21-24H2,1-3H3