6-(2-phenylmethoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-(2-phenylmethoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-(2-benzyloxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-(2-phenylmethoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-(2-phenylmethoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-(2-benzoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C31H29N3O MolecularWeight: 459.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC=CC=C5OCC6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC=CC=C5OCC6=CC=CC=C6

InChI

InChI=1S/C31H29N3O/c32-31(33)22-15-17-27-26(18-22)29-23-11-5-4-10-21(23)14-16-25(29)30(34-27)24-12-6-7-13-28(24)35-19-20-8-2-1-3-9-20/h1-13,15,17-18,25,29-30,34H,14,16,19H2,(H3,32,33)