4-[[[4-(azepan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide

Systemtic Name: 4-[[[4-(azepan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide Openeye Name: 4-[[[4-(azepan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide CAS Name: 4-[[[4-(1-azepanyl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide IUPAC Name: 4-[[[4-(azepan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide Traditional Name: 4-[[[4-(azepan-1-yl)cyclohexyl]amino]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide Formula: C28H39N7O MolecularWeight: 489.65556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCC(CC2)NCC3=CC=C(C=C3)C(=O)N(CC4=NC=CN4)CC5=NC=CN5

Isomeric SMILES

C1CCCN(CC1)C2CCC(CC2)NCC3=CC=C(C=C3)C(=O)N(CC4=NC=CN4)CC5=NC=CN5

InChI

InChI=1S/C28H39N7O/c36-28(35(20-26-29-13-14-30-26)21-27-31-15-16-32-27)23-7-5-22(6-8-23)19-33-24-9-11-25(12-10-24)34-17-3-1-2-4-18-34/h5-8,13-16,24-25,33H,1-4,9-12,17-21H2,(H,29,30)(H,31,32)