N6,N6-bis[(2,4-dimethoxyphenyl)methyl]isoquinoline-1,6-diamine

Systemtic Name: N6,N6-bis[(2,4-dimethoxyphenyl)methyl]isoquinoline-1,6-diamine Openeye Name: N6,N6-bis[(2,4-dimethoxyphenyl)methyl]isoquinoline-1,6-diamine CAS Name: N6,N6-bis[(2,4-dimethoxyphenyl)methyl]isoquinoline-1,6-diamine IUPAC Name: 6-N,6-N-bis[(2,4-dimethoxyphenyl)methyl]isoquinoline-1,6-diamine Traditional Name: (1-amino-6-isoquinolyl)-bis(2,4-dimethoxybenzyl)amine Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(CC2=C(C=C(C=C2)OC)OC)C3=CC4=C(C=C3)C(=NC=C4)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(CC2=C(C=C(C=C2)OC)OC)C3=CC4=C(C=C3)C(=NC=C4)N)OC

InChI

InChI=1S/C27H29N3O4/c1-31-22-8-5-19(25(14-22)33-3)16-30(17-20-6-9-23(32-2)15-26(20)34-4)21-7-10-24-18(13-21)11-12-29-27(24)28/h5-15H,16-17H2,1-4H3,(H2,28,29)