N'-(3-oxidanylpropyl)-4-[4-[4-[N'-(3-oxidanylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: N'-(3-oxidanylpropyl)-4-[4-[4-[N'-(3-oxidanylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-(3-hydroxypropyl)-4-[4-[4-[N'-(3-hydroxypropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(3-hydroxypropylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-(3-hydroxypropyl)benzenecarboximidamide IUPAC Name: N'-(3-hydroxypropyl)-4-[4-[4-[N'-(3-hydroxypropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-(3-hydroxypropyl)-4-[4-[4-[N'-(3-hydroxypropyl)amidino]phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=C(C=C2)C(=NCCCO)N)C3=CC=C(C=C3)C(=NCCCO)N

Isomeric SMILES

C1CN(CCN(C1)C2=CC=C(C=C2)C(=NCCCO)N)C3=CC=C(C=C3)C(=NCCCO)N

InChI

InChI=1S/C25H36N6O2/c26-24(28-12-1-18-32)20-4-8-22(9-5-20)30-14-3-15-31(17-16-30)23-10-6-21(7-11-23)25(27)29-13-2-19-33/h4-11,32-33H,1-3,12-19H2,(H2,26,28)(H2,27,29)