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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[[(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=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=C(C=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(22-14-8-20(27)9-15-22)17-18-4-10-21(11-5-18)28-25(32)19-6-12-23(13-7-19)30(33)34/h4-7,10-13,20,22H,8-9,14-17,27H2,1-3H3,(H,28,32)