N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-quinolin-4-amine

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-6-isocyano-quinolin-4-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-6-isocyano-quinolin-4-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyano-4-quinolinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyanoquinolin-4-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-(6-isocyano-4-quinolyl)amine Formula: C18H14ClN3O MolecularWeight: 323.77626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2)[N+]#[C-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2)[N+]#[C-])Cl

InChI

InChI=1S/C18H14ClN3O/c1-20-13-4-5-16-14(10-13)17(7-8-21-16)22-11-12-3-6-18(23-2)15(19)9-12/h3-10H,11H2,2H3,(H,21,22)