N-[3-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCC(CC3)N

InChI

InChI=1S/C26H34N4O4/c1-26(2,3)16-24(31)29(22-13-9-20(27)10-14-22)17-18-5-4-6-21(15-18)28-25(32)19-7-11-23(12-8-19)30(33)34/h4-8,11-12,15,20,22H,9-10,13-14,16-17,27H2,1-3H3,(H,28,32)