[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-6-isocyano-quinolin-3-yl]methanol

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-ethyl-6-isocyano-quinolin-3-yl]methanol Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-ethyl-6-isocyano-3-quinolyl]methanol CAS Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-6-isocyano-3-quinolinyl]methanol IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)methylamino]-8-ethyl-6-isocyanoquinolin-3-yl]methanol Traditional Name: [4-[(3-chloro-4-methoxy-benzyl)amino]-8-ethyl-6-isocyano-3-quinolyl]methanol Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)[N+]#[C-])C(=C(C=N2)CO)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCC1=C2C(=CC(=C1)[N+]#[C-])C(=C(C=N2)CO)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-4-14-8-16(23-2)9-17-20(14)25-11-15(12-26)21(17)24-10-13-5-6-19(27-3)18(22)7-13/h5-9,11,26H,4,10,12H2,1,3H3,(H,24,25)