N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-4-nitro-benzamide Openeye Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxo-ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxoethyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxoethyl]phenyl]-4-nitrobenzamide Traditional Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-keto-ethyl]phenyl]-4-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CN

InChI

InChI=1S/C23H28N4O4/c24-14-16-4-3-5-17(12-16)15-25-22(28)13-19-6-1-2-7-21(19)26-23(29)18-8-10-20(11-9-18)27(30)31/h1-2,6-11,16-17H,3-5,12-15,24H2,(H,25,28)(H,26,29)