N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Openeye Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-benzylidene)amino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C28H28BrN3O3 MolecularWeight: 534.44422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)Br)OCC=C

InChI

InChI=1S/C28H28BrN3O3/c1-3-14-35-27-25(29)15-21(16-26(27)34-2)17-30-31-28(33)23-10-8-20(9-11-23)18-32-13-12-22-6-4-5-7-24(22)19-32/h3-11,15-17H,1,12-14,18-19H2,2H3,(H,31,33)/b30-17+