3-bromanyl-5-methoxy-4-propoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-bromanyl-5-methoxy-4-propoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-bromo-5-methoxy-4-propoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-bromo-5-methoxy-4-propoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-bromo-5-methoxy-4-propoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)OC

InChI

InChI=1S/C21H23BrN4O3/c1-3-8-29-20-18(22)9-17(10-19(20)28-2)21(27)24-11-15-6-4-5-7-16(15)12-26-14-23-13-25-26/h4-7,9-10,13-14H,3,8,11-12H2,1-2H3,(H,24,27)