N-[3-azanyl-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidyl)-1-piperidyl]phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-piperidinopiperidino)phenyl]propyl]-2,5-dimethoxy-benzamide Formula: C28H37N5O6 MolecularWeight: 539.62328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C28H37N5O6/c1-38-21-7-9-26(39-2)22(17-21)28(35)30-23(18-27(29)34)19-6-8-24(25(16-19)33(36)37)32-14-10-20(11-15-32)31-12-4-3-5-13-31/h6-9,16-17,20,23H,3-5,10-15,18H2,1-2H3,(H2,29,34)(H,30,35)