N'-(2-methylpropyl)-4-[4-[4-[N'-(2-methylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: N'-(2-methylpropyl)-4-[4-[4-[N'-(2-methylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-isobutyl-4-[4-[4-(N'-isobutylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(2-methylpropylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-(2-methylpropyl)benzenecarboximidamide IUPAC Name: N'-(2-methylpropyl)-4-[4-[4-[N'-(2-methylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-isobutyl-4-[4-[4-(N'-isobutylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C27H40N6 MolecularWeight: 448.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCC(C)C)N)N

Isomeric SMILES

CC(C)CN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCC(C)C)N)N

InChI

InChI=1S/C27H40N6/c1-20(2)18-30-26(28)22-6-10-24(11-7-22)32-14-5-15-33(17-16-32)25-12-8-23(9-13-25)27(29)31-19-21(3)4/h6-13,20-21H,5,14-19H2,1-4H3,(H2,28,30)(H2,29,31)