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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N

Isomeric SMILES

CCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N

InChI

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