N-[(2,4-dimethoxyphenyl)methyl]-1-isocyano-isoquinolin-4-amine

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-1-isocyano-isoquinolin-4-amine Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-1-isocyano-isoquinolin-4-amine CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-1-isocyano-4-isoquinolinamine IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-1-isocyanoisoquinolin-4-amine Traditional Name: (2,4-dimethoxybenzyl)-(1-isocyano-4-isoquinolyl)amine Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=CN=C(C3=CC=CC=C32)[N+]#[C-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=CN=C(C3=CC=CC=C32)[N+]#[C-])OC

InChI

InChI=1S/C19H17N3O2/c1-20-19-16-7-5-4-6-15(16)17(12-22-19)21-11-13-8-9-14(23-2)10-18(13)24-3/h4-10,12,21H,11H2,2-3H3