1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-5H-1,4-diazepine

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-5H-1,4-diazepine Openeye Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-5H-1,4-diazepine CAS Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5H-1,4-diazepine IUPAC Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5H-1,4-diazepine Traditional Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-5H-1,4-diazepine Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)N2CC=CN(C=C2)C3=CC(=C(C=C3)Br)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)F)N2CC=CN(C=C2)C3=CC(=C(C=C3)Br)OC

InChI

InChI=1S/C21H22BrFN2O2/c1-15(16-5-8-20(26-2)19(23)13-16)24-9-4-10-25(12-11-24)17-6-7-18(22)21(14-17)27-3/h4-8,10-15H,9H2,1-3H3