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

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(3,5-dimethyl-1-piperidyl)-3-nitro-N-[(4-ureidophenyl)methyl]benzamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-N-(4-ureidobenzyl)benzamide Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-14-9-15(2)13-26(12-14)19-8-5-17(10-20(19)27(30)31)21(28)24-11-16-3-6-18(7-4-16)25-22(23)29/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,28)(H3,23,25,29)