3-azanyl-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide

Systemtic Name: 3-azanyl-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Openeye Name: 3-amino-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide CAS Name: 3-amino-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide IUPAC Name: 3-amino-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide Traditional Name: 3-amino-N-[4-(cycloheptylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Formula: C27H39N7O MolecularWeight: 477.64486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)NCCCCNC2CCCCCC2)CC3=NC=CN3)CC4=NC=CN4)N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)NCCCCNC2CCCCCC2)CC3=NC=CN3)CC4=NC=CN4)N

InChI

InChI=1S/C27H39N7O/c1-19-22(27(35)34-11-7-6-10-29-21-8-4-2-3-5-9-21)16-20(17-24-30-12-13-31-24)23(26(19)28)18-25-32-14-15-33-25/h12-16,21,29H,2-11,17-18,28H2,1H3,(H,30,31)(H,32,33)(H,34,35)