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

Systemtic Name: 3-azanyl-N-[4-(cyclohexylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Openeye Name: 3-amino-N-[4-(cyclohexylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide CAS Name: 3-amino-N-[4-(cyclohexylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide IUPAC Name: 3-amino-N-[4-(cyclohexylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide Traditional Name: 3-amino-N-[4-(cyclohexylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Formula: C26H37N7O MolecularWeight: 463.61828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)NCCCCNC2CCCCC2)CC3=NC=CN3)CC4=NC=CN4)N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)NCCCCNC2CCCCC2)CC3=NC=CN3)CC4=NC=CN4)N

InChI

InChI=1S/C26H37N7O/c1-18-21(26(34)33-10-6-5-9-28-20-7-3-2-4-8-20)15-19(16-23-29-11-12-30-23)22(25(18)27)17-24-31-13-14-32-24/h11-15,20,28H,2-10,16-17,27H2,1H3,(H,29,30)(H,31,32)(H,33,34)