N1,N6-bis[4-(phenoxymethyl)phenyl]-N1,N6-bis(4-phenylmethoxyphenyl)isoquinoline-1,6-diamine

Systemtic Name: N1,N6-bis[4-(phenoxymethyl)phenyl]-N1,N6-bis(4-phenylmethoxyphenyl)isoquinoline-1,6-diamine Openeye Name: N1,N6-bis(4-benzyloxyphenyl)-N1,N6-bis[4-(phenoxymethyl)phenyl]isoquinoline-1,6-diamine CAS Name: N1,N6-bis[4-(phenoxymethyl)phenyl]-N1,N6-bis(4-phenylmethoxyphenyl)isoquinoline-1,6-diamine IUPAC Name: 1-N,6-N-bis[4-(phenoxymethyl)phenyl]-1-N,6-N-bis(4-phenylmethoxyphenyl)isoquinoline-1,6-diamine Traditional Name: (4-benzoxyphenyl)-[1-[N-(4-benzoxyphenyl)-4-(phenoxymethyl)anilino]-6-isoquinolyl]-[4-(phenoxymethyl)phenyl]amine Formula: C61H49N3O4 MolecularWeight: 888.05946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(C3=CC=C(C=C3)COC4=CC=CC=C4)C5=CC6=C(C=C5)C(=NC=C6)N(C7=CC=C(C=C7)COC8=CC=CC=C8)C9=CC=C(C=C9)OCC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N(C3=CC=C(C=C3)COC4=CC=CC=C4)C5=CC6=C(C=C5)C(=NC=C6)N(C7=CC=C(C=C7)COC8=CC=CC=C8)C9=CC=C(C=C9)OCC1=CC=CC=C1

InChI

InChI=1S/C61H49N3O4/c1-5-13-46(14-6-1)42-67-58-34-29-52(30-35-58)63(51-25-21-48(22-26-51)44-65-56-17-9-3-10-18-56)55-33-38-60-50(41-55)39-40-62-61(60)64(53-27-23-49(24-28-53)45-66-57-19-11-4-12-20-57)54-31-36-59(37-32-54)68-43-47-15-7-2-8-16-47/h1-41H,42-45H2