N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(piperidin-3-ylamino)benzamide hydrochloride

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(piperidin-3-ylamino)benzamide hydrochloride Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(3-piperidylamino)benzamide hydrochloride CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(3-piperidinylamino)benzamide hydrochloride IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-(piperidin-3-ylamino)benzamide hydrochloride Traditional Name: 5-nitro-2-(3-piperidylamino)-N-veratryl-benzamide hydrochloride Formula: C21H27ClN4O5 MolecularWeight: 450.91588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCNC3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCNC3)OC.Cl

InChI

InChI=1S/C21H26N4O5.ClH/c1-29-19-8-5-14(10-20(19)30-2)12-23-21(26)17-11-16(25(27)28)6-7-18(17)24-15-4-3-9-22-13-15;/h5-8,10-11,15,22,24H,3-4,9,12-13H2,1-2H3,(H,23,26);1H