3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethyl-benzamide Openeye Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethyl-benzamide CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-N,N-diethylbenzamide Traditional Name: N,N-diethyl-3,5-bis[[4-(2-imidazolin-2-yl)phenyl]carbamoylamino]benzamide Formula: C31H35N9O3 MolecularWeight: 581.6681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=NCCN3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5

InChI

InChI=1S/C31H35N9O3/c1-3-40(4-2)29(41)22-17-25(38-30(42)36-23-9-5-20(6-10-23)27-32-13-14-33-27)19-26(18-22)39-31(43)37-24-11-7-21(8-12-24)28-34-15-16-35-28/h5-12,17-19H,3-4,13-16H2,1-2H3,(H,32,33)(H,34,35)(H2,36,38,42)(H2,37,39,43)