N-(4-phenylmethoxyphenyl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Openeye Name: N-(4-benzyloxyphenyl)-4-(4-pyridylmethyl)isoquinolin-1-amine CAS Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-4-ylmethyl)-1-isoquinolinamine IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Traditional Name: (4-benzoxyphenyl)-[4-(4-pyridylmethyl)-1-isoquinolyl]amine Formula: C28H23N3O MolecularWeight: 417.50172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=C(C4=CC=CC=C43)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=C(C4=CC=CC=C43)CC5=CC=NC=C5

InChI

InChI=1S/C28H23N3O/c1-2-6-22(7-3-1)20-32-25-12-10-24(11-13-25)31-28-27-9-5-4-8-26(27)23(19-30-28)18-21-14-16-29-17-15-21/h1-17,19H,18,20H2,(H,30,31)