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

Systemtic Name: N-phenyl-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Openeye Name: N-phenyl-4-(4-pyridylmethyl)isoquinolin-1-amine CAS Name: N-phenyl-4-(pyridin-4-ylmethyl)-1-isoquinolinamine IUPAC Name: N-phenyl-4-(pyridin-4-ylmethyl)isoquinolin-1-amine Traditional Name: phenyl-[4-(4-pyridylmethyl)-1-isoquinolyl]amine Formula: C21H17N3 MolecularWeight: 311.37978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)CC4=CC=NC=C4

InChI

InChI=1S/C21H17N3/c1-2-6-18(7-3-1)24-21-20-9-5-4-8-19(20)17(15-23-21)14-16-10-12-22-13-11-16/h1-13,15H,14H2,(H,23,24)