3-azanyl-N-(4-azanylbutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide

Systemtic Name: 3-azanyl-N-(4-azanylbutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Openeye Name: 3-amino-N-(4-aminobutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide CAS Name: 3-amino-N-(4-aminobutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide IUPAC Name: 3-amino-N-(4-aminobutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide Traditional Name: 3-amino-N-(4-aminobutyl)-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O/c1-13-15(20(28)27-5-3-2-4-21)10-14(11-17-23-6-7-24-17)16(19(13)22)12-18-25-8-9-26-18/h6-10H,2-5,11-12,21-22H2,1H3,(H,23,24)(H,25,26)(H,27,28)