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

Systemtic Name: N'-(2,2-dimethylpropyl)-4-[4-[4-[N'-(2,2-dimethylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Openeye Name: N'-(2,2-dimethylpropyl)-4-[4-[4-[N'-(2,2-dimethylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzamidine CAS Name: 4-[4-[4-[amino(2,2-dimethylpropylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-(2,2-dimethylpropyl)benzenecarboximidamide IUPAC Name: N'-(2,2-dimethylpropyl)-4-[4-[4-[N'-(2,2-dimethylpropyl)carbamimidoyl]phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide Traditional Name: N'-neopentyl-4-[4-[4-(N'-neopentylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine Formula: C29H44N6 MolecularWeight: 476.69986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N6/c1-28(2,3)20-32-26(30)22-8-12-24(13-9-22)34-16-7-17-35(19-18-34)25-14-10-23(11-15-25)27(31)33-21-29(4,5)6/h8-15H,7,16-21H2,1-6H3,(H2,30,32)(H2,31,33)