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

Systemtic Name: 3-azanyl-N-[4-[bis(2-methylpropyl)amino]butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Openeye Name: 3-amino-N-[4-(diisobutylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide CAS Name: 3-amino-N-[4-[bis(2-methylpropyl)amino]butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide IUPAC Name: 3-amino-N-[4-[bis(2-methylpropyl)amino]butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methylbenzamide Traditional Name: 3-amino-N-[4-(diisobutylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-2-methyl-benzamide Formula: C28H43N7O MolecularWeight: 493.68732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N7O/c1-19(2)17-35(18-20(3)4)13-7-6-8-34-28(36)23-14-22(15-25-30-9-10-31-25)24(27(29)21(23)5)16-26-32-11-12-33-26/h9-12,14,19-20H,6-8,13,15-18,29H2,1-5H3,(H,30,31)(H,32,33)(H,34,36)