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

Systemtic Name: 3-azanyl-N-[4-(dimethylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Openeye Name: 3-amino-N-[4-(dimethylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide CAS Name: 3-amino-N-[4-(dimethylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide IUPAC Name: 3-amino-N-[4-(dimethylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide Traditional Name: 3-amino-N-[4-(dimethylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Formula: C22H31N7O MolecularWeight: 409.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)NCCCCN(C)C)CC2=NC=CN2)CC3=NC=CN3)N

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)NCCCCN(C)C)CC2=NC=CN2)CC3=NC=CN3)N

InChI

InChI=1S/C22H31N7O/c1-15-17(22(30)28-6-4-5-11-29(2)3)12-16(13-19-24-7-8-25-19)18(21(15)23)14-20-26-9-10-27-20/h7-10,12H,4-6,11,13-14,23H2,1-3H3,(H,24,25)(H,26,27)(H,28,30)