N'-pentyl-4-[4-[4-(N'-pentylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: N'-pentyl-4-[4-[4-(N'-pentylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-pentyl-4-[4-[4-(N'-pentylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(pentylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-pentylbenzenecarboximidamide IUPAC Name: N'-pentyl-4-[4-[4-(N'-pentylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-amyl-4-[4-[4-(N'-amylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C29H44N6 MolecularWeight: 476.69986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCCC)N)N

Isomeric SMILES

CCCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCCC)N)N

InChI

InChI=1S/C29H44N6/c1-3-5-7-18-32-28(30)24-10-14-26(15-11-24)34-20-9-21-35(23-22-34)27-16-12-25(13-17-27)29(31)33-19-8-6-4-2/h10-17H,3-9,18-23H2,1-2H3,(H2,30,32)(H2,31,33)