N-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinolin-3-yl]methyl]ethanamide

Systemtic Name: N-[[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinolin-3-yl]methyl]ethanamide Openeye Name: N-[[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-3-quinolyl]methyl]acetamide CAS Name: N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-3-quinolinyl]methyl]acetamide IUPAC Name: N-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanoquinolin-3-yl]methyl]acetamide Traditional Name: N-[[4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-3-quinolyl]methyl]acetamide Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

Isomeric SMILES

CC(=O)NCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

InChI

InChI=1S/C21H19ClN4O2/c1-13(27)24-11-15-12-25-19-6-5-16(23-2)9-17(19)21(15)26-10-14-4-7-20(28-3)18(22)8-14/h4-9,12H,10-11H2,1,3H3,(H,24,27)(H,25,26)