[4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-heptan-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-heptan-4-ylpiperazin-1-yl)methanone Openeye Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-[4-(1-propylbutyl)piperazin-1-yl]methanone CAS Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-heptan-4-yl-1-piperazinyl)methanone IUPAC Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-heptan-4-ylpiperazin-1-yl)methanone Traditional Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-[4-(1-propylbutyl)piperazino]methanone Formula: C27H39N7O MolecularWeight: 477.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

Isomeric SMILES

CCCC(CCC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(CC3=NC=CN3)CC4=NC=CN4

InChI

InChI=1S/C27H39N7O/c1-3-5-24(6-4-2)33-15-17-34(18-16-33)27(35)23-9-7-22(8-10-23)19-32(20-25-28-11-12-29-25)21-26-30-13-14-31-26/h7-14,24H,3-6,15-21H2,1-2H3,(H,28,29)(H,30,31)