N-[[3-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)naphthalene-2-carboxamide

Systemtic Name: N-[[3-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)naphthalene-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[3-(guanidinomethyl)cyclohexyl]methyl]naphthalene-2-carboxamide CAS Name: N-[[3-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalenecarboxamide IUPAC Name: N-[[3-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)naphthalene-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[[3-(guanidinomethyl)cyclohexyl]methyl]-2-naphthamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5C=C4)CN=C(N)N

Isomeric SMILES

C1CC(CC(C1)CN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5C=C4)CN=C(N)N

InChI

InChI=1S/C29H34N4O3/c30-29(31)32-17-20-4-3-5-21(14-20)18-33(19-22-8-11-26-27(15-22)36-13-12-35-26)28(34)25-10-9-23-6-1-2-7-24(23)16-25/h1-2,6-11,15-16,20-21H,3-5,12-14,17-19H2,(H4,30,31,32)