3-azanyl-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methyl-benzamide

Systemtic Name: 3-azanyl-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methyl-benzamide Openeye Name: 3-amino-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methyl-benzamide CAS Name: 3-amino-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methylbenzamide IUPAC Name: 3-amino-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methylbenzamide Traditional Name: 3-amino-4-(1H-imidazol-2-ylmethyl)-5-[1-(1H-imidazol-2-yl)propyl]-2-methyl-benzamide Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C(=C1)C(=O)N)C)N)CC2=NC=CN2)C3=NC=CN3

Isomeric SMILES

CCC(C1=C(C(=C(C(=C1)C(=O)N)C)N)CC2=NC=CN2)C3=NC=CN3

InChI

InChI=1S/C18H22N6O/c1-3-11(18-23-6-7-24-18)13-8-12(17(20)25)10(2)16(19)14(13)9-15-21-4-5-22-15/h4-8,11H,3,9,19H2,1-2H3,(H2,20,25)(H,21,22)(H,23,24)