N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-isopropyl-4-[4-[4-(N'-isopropylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(propan-2-ylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-propan-2-ylbenzenecarboximidamide IUPAC Name: N'-propan-2-yl-4-[4-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-isopropyl-4-[4-[4-(N'-isopropylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C25H36N6 MolecularWeight: 420.59354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6/c1-18(2)28-24(26)20-6-10-22(11-7-20)30-14-5-15-31(17-16-30)23-12-8-21(9-13-23)25(27)29-19(3)4/h6-13,18-19H,5,14-17H2,1-4H3,(H2,26,28)(H2,27,29)