4-[[(1S,3S)-3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-cycloheptyl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[(1S,3S)-3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-cycloheptyl]methyl]benzenecarboximidamide Openeye Name: 4-[[(1S,3S)-3-[(4-carbamimidoylphenyl)methyl]-2-oxo-cycloheptyl]methyl]benzamidine CAS Name: 4-[[(1S,3S)-3-[(4-carbamimidoylphenyl)methyl]-2-oxocycloheptyl]methyl]benzenecarboximidamide IUPAC Name: 4-[[(1S,3S)-3-[(4-carbamimidoylphenyl)methyl]-2-oxocycloheptyl]methyl]benzenecarboximidamide Traditional Name: 4-[[(1S,3S)-3-(4-amidinobenzyl)-2-keto-cycloheptyl]methyl]benzamidine Formula: C23H28N4O MolecularWeight: 376.49462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC[C@H](C(=O)[C@@H](C1)CC2=CC=C(C=C2)C(=N)N)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1