6-[4-(2-azanylpropan-2-yl)phenyl]-N-(phenylmethyl)isoquinolin-1-amine

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]-N-(phenylmethyl)isoquinolin-1-amine Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-N-benzyl-isoquinolin-1-amine CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-N-(phenylmethyl)-1-isoquinolinamine IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]-N-benzylisoquinolin-1-amine Traditional Name: [6-[4-(1-amino-1-methyl-ethyl)phenyl]-1-isoquinolyl]-benzyl-amine Formula: C25H25N3 MolecularWeight: 367.4861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NC=C3)NCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NC=C3)NCC4=CC=CC=C4)N

InChI

InChI=1S/C25H25N3/c1-25(2,26)22-11-8-19(9-12-22)20-10-13-23-21(16-20)14-15-27-24(23)28-17-18-6-4-3-5-7-18/h3-16H,17,26H2,1-2H3,(H,27,28)