3-bromanyl-N-[3-(imidazol-1-ylmethyl)phenyl]-5-methoxy-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[3-(imidazol-1-ylmethyl)phenyl]-5-methoxy-4-propoxy-benzamide Openeye Name: 3-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]-5-methoxy-4-propoxy-benzamide CAS Name: 3-bromo-N-[3-(1-imidazolylmethyl)phenyl]-5-methoxy-4-propoxybenzamide IUPAC Name: 3-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]-5-methoxy-4-propoxybenzamide Traditional Name: 3-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]-5-methoxy-4-propoxy-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3)OC

InChI

InChI=1S/C21H22BrN3O3/c1-3-9-28-20-18(22)11-16(12-19(20)27-2)21(26)24-17-6-4-5-15(10-17)13-25-8-7-23-14-25/h4-8,10-12,14H,3,9,13H2,1-2H3,(H,24,26)