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

Systemtic Name: 3-azanyl-N-[4-(dipropylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-N,2-dimethyl-benzamide Openeye Name: 3-amino-N-[4-(dipropylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-N,2-dimethyl-benzamide CAS Name: 3-amino-N-[4-(dipropylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide IUPAC Name: 3-amino-N-[4-(dipropylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide Traditional Name: 3-amino-N-[4-(dipropylamino)butyl]-4,5-bis(1H-imidazol-2-ylmethyl)-N,2-dimethyl-benzamide Formula: C27H41N7O MolecularWeight: 479.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCCN(C)C(=O)C1=CC(=C(C(=C1C)N)CC2=NC=CN2)CC3=NC=CN3

Isomeric SMILES

CCCN(CCC)CCCCN(C)C(=O)C1=CC(=C(C(=C1C)N)CC2=NC=CN2)CC3=NC=CN3

InChI

InChI=1S/C27H41N7O/c1-5-13-34(14-6-2)16-8-7-15-33(4)27(35)22-17-21(18-24-29-9-10-30-24)23(26(28)20(22)3)19-25-31-11-12-32-25/h9-12,17H,5-8,13-16,18-19,28H2,1-4H3,(H,29,30)(H,31,32)