N-[(3-acetamidophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)methyl]-4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(3-acetamidophenyl)methyl]-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamidobenzyl)-4-(3,5-dimethylpiperidino)-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H28N4O4/c1-15-9-16(2)14-26(13-15)21-8-7-19(11-22(21)27(30)31)23(29)24-12-18-5-4-6-20(10-18)25-17(3)28/h4-8,10-11,15-16H,9,12-14H2,1-3H3,(H,24,29)(H,25,28)