N-[1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: N-[1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[1-[(2-chloro-5-nitro-phenyl)methyl]-4-piperidyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[1-[(2-chloro-5-nitrophenyl)methyl]-4-piperidinyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[1-(2-chloro-5-nitro-benzyl)-4-piperidyl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N(C1CCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26ClN3O5/c1-15(27)25(18-5-7-21(30-2)22(13-18)31-3)17-8-10-24(11-9-17)14-16-12-19(26(28)29)4-6-20(16)23/h4-7,12-13,17H,8-11,14H2,1-3H3