[1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidin-2-yl]methyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate

Systemtic Name: [1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidin-2-yl]methyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate Openeye Name: [1-[(4-chloro-3-nitro-phenyl)methyl]-2-piperidyl]methyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-methyl-1-piperazinecarboxylic acid [1-[(4-chloro-3-nitrophenyl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methyl 4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylic acid [1-(4-chloro-3-nitro-benzyl)-2-piperidyl]methyl ester Formula: C26H33ClN4O5 MolecularWeight: 517.01702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)OCC3CCCCN3CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)OCC3CCCCN3CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H33ClN4O5/c1-19-16-29(13-14-30(19)21-7-9-23(35-2)10-8-21)26(32)36-18-22-5-3-4-12-28(22)17-20-6-11-24(27)25(15-20)31(33)34/h6-11,15,19,22H,3-5,12-14,16-18H2,1-2H3