N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-piperidino-benzamide Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC(=C2)OC)OC)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O5/c1-28-12-9-26-24(28)23(18-13-19(34-2)16-20(14-18)35-3)27-25(31)17-7-8-21(22(15-17)30(32)33)29-10-5-4-6-11-29/h7-9,12-16,23H,4-6,10-11H2,1-3H3,(H,27,31)/t23-/m0/s1