N-[(4-acetamidophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-acetamidobenzyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-15-4-3-11-25(14-15)20-10-7-18(12-21(20)26(29)30)22(28)23-13-17-5-8-19(9-6-17)24-16(2)27/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,23,28)(H,24,27)