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

Systemtic Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-benzamide CAS Name: 4-anilino-N-[(S)-(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-3-nitrobenzamide IUPAC Name: 4-anilino-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-anilino-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-nitro-benzamide Formula: C26H25N5O5 MolecularWeight: 487.5072

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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)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC(=C2)OC)OC)NC(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O5/c1-30-12-11-27-25(30)24(18-13-20(35-2)16-21(14-18)36-3)29-26(32)17-9-10-22(23(15-17)31(33)34)28-19-7-5-4-6-8-19/h4-16,24,28H,1-3H3,(H,29,32)/t24-/m0/s1