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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 2-(4-benzhydrylpiperazin-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-(diphenylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-benzhydrylpiperazin-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-benzhydrylpiperazino)ethyl ester Formula: C38H41N5O4 MolecularWeight: 631.76324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C38H41N5O4/c1-28-25-34(31-15-9-17-33(26-31)43(45)46)35(38(2,40-28)32-16-10-18-39-27-32)37(44)47-24-23-41-19-21-42(22-20-41)36(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-18,25-27,34-36,40H,19-24H2,1-2H3