4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide

Systemtic Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide Openeye Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide CAS Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide IUPAC Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide Traditional Name: 4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(cyclohexylmethylamino)butyl]benzamide Formula: C27H39N7O MolecularWeight: 477.64486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCCCCNC(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

Isomeric SMILES

C1CCC(CC1)CNCCCCNC(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

InChI

InChI=1S/C27H39N7O/c35-27(33-13-5-4-12-28-18-22-6-2-1-3-7-22)24-10-8-23(9-11-24)19-34(20-25-29-14-15-30-25)21-26-31-16-17-32-26/h8-11,14-17,22,28H,1-7,12-13,18-21H2,(H,29,30)(H,31,32)(H,33,35)