N'-tert-butyl-4-[4-[4-(N'-tert-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: N'-tert-butyl-4-[4-[4-(N'-tert-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-tert-butyl-4-[4-[4-(N'-tert-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(tert-butylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-tert-butylbenzenecarboximidamide IUPAC Name: N'-tert-butyl-4-[4-[4-(N'-tert-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-tert-butyl-4-[4-[4-(N'-tert-butylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C27H40N6 MolecularWeight: 448.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NC(C)(C)C)N)N

Isomeric SMILES

CC(C)(C)N=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NC(C)(C)C)N)N

InChI

InChI=1S/C27H40N6/c1-26(2,3)30-24(28)20-8-12-22(13-9-20)32-16-7-17-33(19-18-32)23-14-10-21(11-15-23)25(29)31-27(4,5)6/h8-15H,7,16-19H2,1-6H3,(H2,28,30)(H2,29,31)