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

Systemtic Name: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride Openeye Name: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride CAS Name: N-butyl-3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]benzamide hydrochloride IUPAC Name: N-butyl-3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide hydrochloride Traditional Name: N-butyl-3,5-bis[[4-(2-imidazolin-2-yl)phenyl]carbamoylamino]benzamide hydrochloride Formula: C31H36ClN9O3 MolecularWeight: 618.12904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N9O3.ClH/c1-2-3-12-36-29(41)22-17-25(39-30(42)37-23-8-4-20(5-9-23)27-32-13-14-33-27)19-26(18-22)40-31(43)38-24-10-6-21(7-11-24)28-34-15-16-35-28;/h4-11,17-19H,2-3,12-16H2,1H3,(H,32,33)(H,34,35)(H,36,41)(H2,37,39,42)(H2,38,40,43);1H