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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCCCCNC(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

Isomeric SMILES

C1CCCC(CC1)NCCCCNC(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

InChI

InChI=1S/C27H39N7O/c35-27(33-14-6-5-13-28-24-7-3-1-2-4-8-24)23-11-9-22(10-12-23)19-34(20-25-29-15-16-30-25)21-26-31-17-18-32-26/h9-12,15-18,24,28H,1-8,13-14,19-21H2,(H,29,30)(H,31,32)(H,33,35)