N-[(E)-[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[(E)-[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methylideneamino]-4-pyrrol-1-yl-benzamide Openeye Name: N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyleneamino]-4-pyrrol-1-yl-benzamide CAS Name: N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-4-pyrrol-1-ylbenzamide Traditional Name: N-[(E)-[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzylidene]amino]-4-pyrrol-1-yl-benzamide Formula: C26H21BrFN3O3 MolecularWeight: 522.365643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)Br)OCC4=CC=CC=C4F

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)N3C=CC=C3)Br)OCC4=CC=CC=C4F

InChI

InChI=1S/C26H21BrFN3O3/c1-33-24-15-18(14-22(27)25(24)34-17-20-6-2-3-7-23(20)28)16-29-30-26(32)19-8-10-21(11-9-19)31-12-4-5-13-31/h2-16H,17H2,1H3,(H,30,32)/b29-16+